diff --git a/ComplementaryScripts/ExchFluxesComparison_NCI60.m b/ComplementaryScripts/ExchFluxesComparison_NCI60.m index 1e12ad62..184e51c9 100644 --- a/ComplementaryScripts/ExchFluxesComparison_NCI60.m +++ b/ComplementaryScripts/ExchFluxesComparison_NCI60.m @@ -1,92 +1,99 @@ -function [meanGRerror,minGRerror, maxGRerror] = ExchFluxesComparison_NCI60(constLevel,ecFlag,fixedBounds) +function [meanGRerror,pred_GRates,meas_GRates] = ExchFluxesComparison_NCI60(constLevel,ecFlag,fixedBounds) %ExchFluxesComparison_NCI60 % % Function that performs pFBA simulations on the 11 cell-line specific % models (from the NCI60 cell-lines) and computes errors in exchange fluxes % and growth rate predictions compared to experimental data. % -% constLevel (integer) 0 for EMEM constraints, 1 for level0+addition -% of GUR constraint, 2 for Level1+threonin, 3 for Level2+lysine, -% 4 for Level 3+glutamine and 5 for Level 4+serine -% constraint. +% constLevel (integer) +% 0 for setting media composition +% 1 for Level0 + addition of GUR constraint +% 2 for Level1 + lactate flux constraint +% 3 for Level2 + threonine flux constraint % ecFlag True if ecModels are desired for simulation or false % for normal models. % fixedBounds True if bounds are desired to be fixed (lb and ub). % % meanGRerror Mean growth rate prediction relative error across the % 11 cell-line models. -% minGRerror Min growth rate prediction error -% maxGRerror Max growth rate prediction error +% pred_GRates (double) vector containing the 11 cell-Lines growth +% prediction [mmol/gDw h] +% meas_GRates (double) vector containing the 11 cell-Lines growth +% measurements [mmol/gDw h] % -% Usage: [meanGRerror,minGRerror, maxGRerror] = ExchFluxesComparison_NCI60(constLevel,ecFlag,fixedBounds) +% Usage: [meanGRerror,pred_GRates,meas_GRates] = ExchFluxesComparison_NCI60(constLevel,ecFlag,fixedBounds) % -% Ivan Domenzain. Last edited: 2019-05-15 +% Ivan Domenzain. Last edited: 2019-12-03 clc close all current = pwd; -cd ../models/humanGEM_cellLines -modelsFolder = pwd; %Assign specific color code for the different cell-lines -[folders, colorS] = assignNamesAndColors; +[cellLines, colorS] = assignNamesAndColors; %Open exchange fluxes data file -fID = fopen('../../DataFiles/exchangeFluxes_NCI60.txt'); +fID = fopen('../DataFiles/exchangeFluxes_NCI60.txt'); expData = textscan(fID,'%s %s %f %f %f %f %f %f %f %f %f %f %f',... 'Delimiter','\t','HeaderLines',1); %%Save experimental data expIDs = expData{1};expMets = expData{2};expData = expData(3:end); %Initialize variables legendStr = {}; -predictedFluxes = zeros(length(expIDs)-1,length(folders)); -errors_ExFlux = zeros(length(folders),3); -errors_GRates = zeros(length(folders),1); +errors_ExFlux = zeros(length(cellLines),3); +errors_GRates = zeros(length(cellLines),1); +pred_GRates = zeros(length(cellLines),1); +%Create output files name strings +if ecFlag + fileName1 = ['ecModels_const_' num2str(constLevel) '_exchangeFluxesComp.txt']; + fileName2 = ['ecModels_const_' num2str(constLevel) '_errorMetrics.txt']; + fileName3 = ['ecModels_const_' num2str(constLevel) '_error_GRate.txt']; +else + fileName1 = ['models_const_' num2str(constLevel) '_exchangeFluxesComp.txt']; + fileName2 = ['models_const_' num2str(constLevel) '_errorMetrics.txt']; + fileName3 = ['models_const_' num2str(constLevel) '_error_GRate.txt']; +end + %For each cell line -for i=1:length(folders) +for i=1:length(cellLines) %Measured fluxes for the i-th cell-line measuredFluxes = expData{i}; - cellLineStr = strrep(folders{i},'_','-'); - cd (modelsFolder) - cd (folders{i}) - mkdir Results - disp(folders{i}) - %Load ecModel and add HepG2 biomass reaction - load ecModel_batch.mat - load model.mat + cellLineStr = strrep(cellLines{i},'_','-'); + mkdir (['../models/' cellLines{i} '/Results']) + disp(cellLines{i}) + %Load models + load(['../models/' cellLines{i} '/ecModel_batch.mat']) + load(['../models/' cellLines{i} '/' cellLines{i} '.mat']) + eval(['model =' cellLines{i} ';']) model.b = zeros(length(model.mets),1); - cd ../../../ComplementaryScripts - ecModel_batch = substituteBiomassRxns(ecModel_batch); - model_modified = substituteBiomassRxns(model); %Allow any level of average enzyme saturaion (0 - 100%) - P_index = find(strcmpi(ecModel_batch.rxnNames,'prot_pool_exchange')); - ecModel_batch.ub(P_index) = 0.609*0.5; + P_index = strcmpi(ecModel_batch.rxnNames,'prot_pool_exchange'); + ecModel_batch.ub(P_index) = 0.593; %Save models - cd ([modelsFolder, '/', folders{i}]) - save ('ecModel_batch.mat', 'ecModel_batch') - save ('model_modified.mat', 'model_modified') + %save (['../models/' cellLines{i} '/ecModel_batch.mat'], 'ecModel_batch') + %save (['../models/' cellLines{i} '/model.mat'], 'model') %Run FBA ecMsol = solveLP(ecModel_batch); - GEMsol = solveLP(model_modified); + GEMsol = solveLP(model); %If both models are feasible if ~isempty(ecMsol.x) & ~isempty(GEMsol.x) - cd ../../../ComplementaryScripts/Simulation - %Set EMEM constraints - [ecModel_batch,~] = setEMEMmedium(ecModel_batch,1000,1000,1000,true); - [model_modified,~] = setEMEMmedium(model_modified,1000,1000,1000,false); + cd Simulation + %Set media composition + ecModel_batch = setHamsMedium(ecModel_batch,true); + model = setHamsMedium(model,false); %Set fixed constraints (nutrients uptakes) - ecModel_batch = setDataConstraints(ecModel_batch,expData{i},expIDs,true,constLevel,fixedBounds); - model_modified = setDataConstraints(model_modified,expData{i},expIDs,false,constLevel,fixedBounds); + ecModel_batch = setDataConstraints(ecModel_batch,expData{i},expIDs,true,constLevel,fixedBounds); + model = setDataConstraints(model,expData{i},expIDs,false,constLevel,fixedBounds); %Get exchange fluxes and metabolites IDs in the original model - model_modified = rmfield(model_modified,'unconstrained'); - [EX_IDs,exc_Indexes] = getExchangeRxns(model_modified); + %model = rmfield(model,'unconstrained'); + [EX_IDs,exc_Indexes] = getExchangeRxns(model); exchangeMets = {}; for j=1:length(expIDs)-1 - metJ = find(strcmpi(model_modified.rxns,expIDs(j))); + metJ = strcmpi(model.rxns,expIDs(j)); exchangeMets = [exchangeMets;... - model_modified.metNames(find(model_modified.S(:,metJ),1))]; + model.metNames(find(model.S(:,metJ),1))]; end %Get parsimonious solutions for both models ecMsol = minProtSimulation(ecModel_batch); - GEMsol = solveLP(model_modified,1); + GEMsol = solveLP(model,1); %If both models are feasible then save results if ~isempty(ecMsol.x) & ~isempty(GEMsol.x) %Extract values for exchange fluxes from GEMsol @@ -95,7 +102,6 @@ exc_ecModel =[]; %Map each exchange rxn to ecModel_batch for j=1:length(exc_Indexes) - indexes = []; indexes = rxnMapping(EX_IDs{j},ecModel_batch,true); if length(indexes)>1 exc_ecModel = [exc_ecModel; ecMsol.x(indexes(1))-ecMsol.x(indexes(2))]; @@ -105,27 +111,35 @@ end %Keep just the exchange fluxes that are also part of the %dataset and compare both GEM and ecGEM predictions - [~,toKeep,order] = intersect(EX_IDs,expIDs);; - str = strrep(folders{i},'_','-'); + [~,toKeep,order] = intersect(EX_IDs,expIDs); if length(toKeep) == length(expIDs(1:end-1)) if ecFlag predictions = exc_ecModel(toKeep); - fileName1 =['ecGEM_const_' num2str(constLevel) '_exchangeFluxesComp.txt']; - fileName2 = ['ecGEM_const_' num2str(constLevel) '_errorMetrics.txt']; - fileName3 = ['ecGEM_const_' num2str(constLevel) '_error_GRate.txt']; + fileName1 = ['ecModels_const_' num2str(constLevel) '_exchangeFluxesComp.txt']; + fileName2 = ['ecModels_const_' num2str(constLevel) '_errorMetrics.txt']; + fileName3 = ['ecModels_const_' num2str(constLevel) '_error_GRate.txt']; else predictions = exc_Model(toKeep); - fileName1 = ['GEM_const_' num2str(constLevel) '_exchangeFluxesComp.txt']; - fileName2 = ['GEM_const_' num2str(constLevel) '_errorMetrics.txt']; - fileName3 = ['GEM_const_' num2str(constLevel) '_error_GRate.txt']; + fileName1 = ['models_const_' num2str(constLevel) '_exchangeFluxesComp.txt']; + fileName2 = ['models_const_' num2str(constLevel) '_errorMetrics.txt']; + fileName3 = ['models_const_' num2str(constLevel) '_error_GRate.txt']; + end + experimental = measuredFluxes(order); + exchangeMets = exchangeMets(order); + exchangeIDs = expIDs(order); + if i==1 + predictedFluxes = table(exchangeIDs,exchangeMets); end - predictedFluxes(:,i) = predictions; - experimental = measuredFluxes(order); - exchangeMets = exchangeMets(order); - exchangeIDs = expIDs(order); + varStr = [{['exp_' cellLines{i}]} cellLines(i)]; + tempT = table(experimental,predictions,'VariableNames',varStr); + predictedFluxes = [predictedFluxes tempT]; + %Get biomass exchange index + bioIndx = find(strcmpi(exchangeMets,'biomass')); [Xvalues,Yvalues,direction,errors_ExFlux(i,:)] = getPlotValues(experimental,predictions); %Calculate mean absolute error for Growth rate predictions - errors_GRates(i) = computeErrorMetric(predictions(end),experimental(end),'MRE'); + errors_GRates(i) = computeErrorMetric(experimental(bioIndx),predictions(bioIndx),'MRE'); + pred_GRates(i) = predictions(bioIndx); + meas_GRates(i) = experimental(bioIndx); disp(['Relative error for GRate prediction: ' num2str(errors_GRates(i))]) plotDataPoints(Xvalues,Yvalues,colorS(i,:),direction) legendStr = [legendStr; [cellLineStr '/ RSME = ' num2str(errors_ExFlux(i,3))]]; @@ -135,43 +149,43 @@ disp('Inconsistent mapping') end else - disp(['Not feasible 2: ' folders{i}]) + disp(['Not feasible 2: ' cellLines{i}]) end else - disp(['Not feasible 1: ' folders{i}]) + disp(['Not feasible 1: ' cellLines{i}]) end - %write file with experimental and predicted exchange fluxes - variables = {'Rxn_ID' 'Metabolite' 'experimental' 'predictions'}; - T = table(exchangeIDs,exchangeMets,experimental,predictions,'VariableNames',variables); - writetable(T,[modelsFolder, '/', folders{i},'/Results/',fileName1],'QuoteStrings',false,'Delimiter','\t') end + %Plot exchange fluxes prediction comparison x1 = linspace(-9,1,100); plot(x1,x1) legend(legendStr) hold on %Write output files -cd (modelsFolder) -cd ../../Results -mkdir 11_cellLines_NCI60 -cd 11_cellLines_NCI60 -%write file with different error metrics for all cell lines -variables = {'cell_Line' 'pearson' 'MAE' 'RMSE'}; -T = table(folders',errors_ExFlux(:,1),errors_ExFlux(:,2),errors_ExFlux(:,3),'VariableNames',variables); -writetable(T,fileName2,'QuoteStrings',false,'Delimiter','\t') -%write file with GRate predictions MAE -variables = {'cell_Line' 'MAE'}; -T = table(folders',errors_GRates,'VariableNames',variables); -writetable(T,fileName3,'QuoteStrings',false,'Delimiter','\t') +mkdir ../Results/11_cellLines_NCI60 +cd ../Results/11_cellLines_NCI60 + +%%write file with different error metrics for all cell lines +%variables = {'cell_Line' 'pearson' 'MAE' 'RMSE'}; +%T = table(cellLines',errors_ExFlux(:,1),errors_ExFlux(:,2),errors_ExFlux(:,3),'VariableNames',variables); +%writetable(T,fileName2,'QuoteStrings',false,'Delimiter','\t') + +%%write file with GRate predictions MAE +%variables = {'cell_Line' 'MAE'}; +%T = table(cellLines',errors_GRates,'VariableNames',variables); +%writetable(T,fileName3,'QuoteStrings',false,'Delimiter','\t') + +%%write file with compared exchange fluxes for all cell-lines +writetable(predictedFluxes,fileName1,'QuoteStrings',false,'Delimiter','\t') meanGRerror = mean(errors_GRates); -minGRerror = min(errors_GRates); -maxGRerror = max(errors_GRates); +% minGRerror = min(errors_GRates); +% maxGRerror = max(errors_GRates); cd (current) end %-------------------------------------------------------------------------- function [cellNames, colors] = assignNamesAndColors cellNames = [{'HS_578T'} {'RPMI_8226'} {'HT29'} {'MALME_3M'} {'SR'}... - {'UO_31'} {'MDAMB_231'} {'HOP62'} {'NCI_H226'} {'HOP92'}... + {'UO_31'} {'MDMAMB_231'} {'HOP62'} {'NCI_H226'} {'HOP92'}... {'O_786'}]; colors = [0 0 128 %dark blue @@ -253,8 +267,8 @@ function plotDataPoints(Xvalues,Yvalues,color,direction) GrowthIndx = find(strcmpi(model.rxns,expIDs(end-1))); %model = setBounds(model,GrowthIndx,value,ecFlag,true); if ecFlag - Prot_biomass = fluxes(end); %Total protein content in biomass [g prot/g DW] - Prot_pool = fluxes(end)*0.5*0.5; %Amount of enzymes available for biochemical reactions + Prot_biomass = fluxes(end); %Total protein content in biomass [g prot/g DW] + Prot_pool = fluxes(end); %Amount of enzymes available for biochemical reactions model = rescaleBiomassProtein(model,Prot_pool,ecFlag); end %Glucose exchange bound @@ -265,32 +279,18 @@ function plotDataPoints(Xvalues,Yvalues,color,direction) rxnIndx = find(strcmpi(model.rxns,expIDs(index))); value = fluxes(index); model = setBounds(model,rxnIndx,value,ecFlag,fixed); - %Threonine exchange bound + %L-lactate exchange bound if const_level>1 - index = strcmpi(expIDs,'HMR_9044'); + index = strcmpi(expIDs,'HMR_9135'); rxnIndx = find(strcmpi(model.rxns,expIDs(index))); value = fluxes(index); model = setBounds(model,rxnIndx,value,ecFlag,fixed); - %Lysine exchange bound - if const_level>2 - index = strcmpi(expIDs,'HMR_9041'); + %Threonine exchange bound + if const_level>2 + index = strcmpi(expIDs,'HMR_9044'); rxnIndx = find(strcmpi(model.rxns,expIDs(index))); value = fluxes(index); model = setBounds(model,rxnIndx,value,ecFlag,fixed); - %Glutamine exchange bound - if const_level>3 - index = strcmpi(expIDs,'HMR_9063'); - rxnIndx = find(strcmpi(model.rxns,expIDs(index))); - value = fluxes(index); - model = setBounds(model,rxnIndx,value,ecFlag,fixed); - %Serine exchange bound - if const_level>4 - index = strcmpi(expIDs,'HMR_9069'); - rxnIndx = find(strcmpi(model.rxns,expIDs(index))); - value = fluxes(index); - model = setBounds(model,rxnIndx,value,ecFlag,fixed); - end - end end end end @@ -324,10 +324,10 @@ function plotDataPoints(Xvalues,Yvalues,color,direction) %-------------------------------------------------------------------------- function model = rescaleBiomassProtein(model,Ptot,constrainPool) if nargin <3 - gIndex = find(strcmpi(model.rxns,'HumanGrowth')); - protIndex = find(strcmpi(model.metNames,'proteinPool')); - coeff = model.S(protIndex,gIndex); %Extract coeff corresponding to 0.609 g Prot / g Biomass - newCoeff = coeff*Ptot/0.609; + gIndex = find(strcmpi(model.rxns,'biomass_human')); + protIndex = find(strcmpi(model.metNames,'protein_pool_biomass')); + coeff = model.S(protIndex,gIndex); %Extract coeff corresponding to 0.593 g Prot / g Biomass + newCoeff = coeff*Ptot/0.593; %Rescale stoichiometric coefficient of proteinPool in biomass equation model.S(protIndex,gIndex) = newCoeff; else diff --git a/ComplementaryScripts/Simulation/comparativeFVA_humanModels.m b/ComplementaryScripts/Simulation/comparativeFVA_humanModels.m index eda39eb8..2ff15756 100644 --- a/ComplementaryScripts/Simulation/comparativeFVA_humanModels.m +++ b/ComplementaryScripts/Simulation/comparativeFVA_humanModels.m @@ -1,4 +1,4 @@ -function FVA_Dists = comparativeFVA_humanModels(cellLine) +function results = comparativeFVA_humanModels(cellLine) %comparativeFVA_humanModels % % Function that runs a comparative flux variabiability analysis between a @@ -8,36 +8,57 @@ % cellLine (string) cell-line name (It should be consistent with the name % of the subfolder in which the model is stored. % -% FVA_Dists (2x1 cell) Flux variability distributions for both GEM and -% ecGEM in [mmol/gDw h] +% results (table) Contains rxnIDs, rxn formulas, Flux variability +% distributions for both GEM and ecGEM in [mmol/gDw h] and +% metabolic subSystems for all rxns for which a variability range +% in bothmodels was calculated % % Usage: FVA_Dists = comparativeFVA_humanModels(cellLine) % -% Ivan Domenzain, 2019-05-14 +% Ivan Domenzain, 2019-12-05 current = pwd; %Clone GECKO and pull comparativeFVa branch git('clone https://github.com/SysBioChalmers/GECKO.git') cd GECKO GECKO_path = pwd; -git ('checkout fix/comparativeFVA') +git ('checkout fix/comparative_FVA') git pull %Load GEM and ecGEM -load(['../../models/humanGEM_cellLines/' cellLine '/model_modified.mat']) -load(['../../models/humanGEM_cellLines/' cellLine '/ecModel_batch.mat']) +load(['../../../models/' cellLine '/' cellLine '.mat']) +load(['../../../models/' cellLine '/ecModel_batch.mat']) +eval(['model = ' cellLine ';']) %Set medium constraints -glucBound = 1; -oxBound = 1000; -stdBound = 1; -[model,~] = setEMEMmedium(model_modified,glucBound,oxBound,stdBound,false); -[ecModel,~] = setEMEMmedium(ecModel_batch,glucBound,oxBound,stdBound); +cd (current) +model = removeMetFields(model); +model = setHamsMedium(model,false,'glucose',-1); +ecModel = setHamsMedium(ecModel_batch,true,'glucose',1); evalin( 'base', 'clear(''model_modified'')' ) evalin( 'base', 'clear(''ecModel_batch'')' ) %Use GECKO built-in function for FVA comparative analysis cd ([GECKO_path '/geckomat/utilities/FVA']) -CsourceUptk = 'HMR_9034'; -[FVA_Dists,~,~,~] = comparativeFVA(model,ecModel,CsourceUptk,false); +CsourceUptk = 'HMR_9034'; +[FVA_Dists,indexes,~,~] = comparativeFVA(model,ecModel,CsourceUptk,false,1E-8); cd (current) -cd (['../../models/humanGEM_cellLines/' cellLine]) -save('FVA_results.mat','FVA_Dists','indexes') +%Write results in a table and save it as .txt file +mkdir('../../Results/FVA') +variables = {'rxns' 'formulas' 'model_ranges' 'ecModel_ranges' 'subSystems'}; +formulas = constructEquations(model,indexes); +results = table(model.rxns(indexes),formulas,FVA_Dists{1},FVA_Dists{2},model.subSystems(indexes),'VariableNames',variables); +writetable(results,['../../Results/FVA/FVA_comp_' cellLine],'Delimiter','\t','QuoteStrings',false) +end +%-------------------------------------------------------------------------- +function model = removeMetFields(model) +if isfield(model,'inchis') + model = rmfield(model,'inchis'); +end +if isfield(model,'metMiriams') + model = rmfield(model,'metMiriams'); +end +if isfield(model,'metCharges') + model = rmfield(model,'metCharges'); +end +if isfield(model,'metFrom') + model = rmfield(model,'metFrom'); +end end \ No newline at end of file diff --git a/ComplementaryScripts/Simulation/setHamsMedium.m b/ComplementaryScripts/Simulation/setHamsMedium.m new file mode 100644 index 00000000..700b0bc6 --- /dev/null +++ b/ComplementaryScripts/Simulation/setHamsMedium.m @@ -0,0 +1,152 @@ +function exchModel = setHamsMedium(model,irrev,measuredMets,fluxes) +% setHamsMedium +% +% Set a Hams culture medium for a humanGEM based model. This function works +% for either standard or enzyme constrained-GEMs +% +% model An ihuman-based GEM +% irrev (logical) TRUE if model comes in an irreversible format. +% Default = false +% measuredMets (string) metNames for measured compounds. Optional +% fluxes (vector) Measured fluxes [mmol/gDw h]. Optional +% NOTE: NEGATIVE = CONSUME +% POSITIVE = PRODUCE +% +% exchModel (struct) Model with Ham's media constraints +% +% Ivan Domenzain. Last edited: 2019-11-29 + +if nargin<4 + fluxes = []; + if nargin<3 + measuredMets = []; + if nargin<2 || isempty(irrev) + irrev = false; + end + end +end +%Remove unconstrained field, if available +if isfield(model,'unconstrained') + model = rmfield(model,'unconstrained'); +end +%Check if boundary metabolites are present, if so then remove them +boundaryIndx = find(strcmpi(model.compNames,'Boundary')); +boundary = find(model.metComps==boundaryIndx); +if ~isempty(boundary) + model = removeMets(model,boundary,false,false,false,true); +end +%Ham's media composition +mediaComps ={'glucose' + 'arginine' + 'histidine' + 'lysine' + 'methionine' + 'phenylalanine' + 'tryptophan' + 'tyrosine' + 'alanine' + 'glycine' + 'serine' + 'threonine' + 'aspartate' + 'glutamate' + 'asparagine' + 'glutamine' + 'isoleucine' + 'leucine' + 'proline' + 'valine' + 'cysteine' + 'thiamin' + 'hypoxanthine' + 'folate' + 'biotin' + 'pantothenate' + 'choline' + 'inositol' + 'nicotinamide' + 'pyridoxine' + 'riboflavin' + 'thymidine' + 'aquacob(III)alamin' + 'lipoic acid' + 'sulfate' + 'linoleate' + 'linolenate' + 'O2' + 'H2O' + 'retinoate' + 'Fe2+' + 'Pi' + 'alpha-tocopherol' + 'gamma-tocopherol'}; + +%Default flux bounds [LB, UB] +fluxBounds = [-ones(length(mediaComps),1), ones(length(mediaComps),1)]*1000; +%Check if provided mets are part of media's formulation +if ~isempty(measuredMets) + %Modify fluxBounds with the correspondent provided flux measurements + [iA,iB] = ismember(measuredMets,mediaComps); + fluxBounds(iB(iA),:) = fluxes(iA).*ones(sum(iA),2); % force flux to be equal to measured value (LB = UB = measured val) + if any(~iA) + %If measured mets are not in media formulation, then add them + mediaComps = [mediaComps; measuredMets(~iA)]; + fluxBounds = [fluxBounds; fluxes(~iA).*ones(sum(~iA),2)]; + end +end + +if ~irrev + modelStr = 'model'; + %Set uptake fluxes for media mets + [exchModel,unusedMets] = setExchangeBounds(model,mediaComps,fluxBounds(:,1),fluxBounds(:,2),true); +else + modelStr = 'ecModel'; + [exchRxns,exchIndxs] = getExchangeRxns(model); + %Exclude protein pool exchange + exchIndxs = exchIndxs(1:end-1); + exchRxns = exchRxns(1:end-1); + %Differentiate between uptakes and production reactions + uptkIndxs = exchIndxs(find(contains(exchRxns,'_REV'))); + prodIndxs = exchIndxs(find(~contains(exchRxns,'_REV'))); + %Open all production reactions + exchModel = setParam(model,'ub',prodIndxs,1000); + %close all uptakes + exchModel = setParam(exchModel,'ub',uptkIndxs,0); + %Open uptake of media components one by one + unusedMets = []; + for i=1:length(mediaComps) + %Get metabolite indx + metIndx = getIndexes(model,strcat(mediaComps{i},'[s]'),'metscomps'); + %Get rxns for metabolite + metRxns = find(model.S(metIndx,:)); + %Get the uptake reaction for the metabolite + metExchRxn = intersect(metRxns,uptkIndxs); + if isempty(metExchRxn) + unusedMets = [unusedMets; mediaComps(i)]; + else + %Open it! + exchModel.ub(metExchRxn) = -fluxBounds(i,1); % flip sign of LB + %If the metabolite was measured, also set its production rate + if fluxBounds(i,2) ~= 1000 + metExchRxn = intersect(metRxns,prodIndxs); + exchModel.ub(metExchRxn) = fluxBounds(i,2); + end + end + end +end + +% report unused metabolites +if ~isempty(unusedMets) + fprintf('WARNING: The following metabolites are either not in the model or do not have exchange reactions:\n'); + fprintf('\t%s\n',unusedMets{:}); +end + +%Check if model is feasible +sol = solveLP(exchModel); +if ~isempty(sol.x) + disp(['Constrained ' modelStr ' is feasible']) +else + disp(['Constrained ' modelStr ' is unfeasible']) + exchModel = []; +end +end \ No newline at end of file diff --git a/ComplementaryScripts/enhanceGEM_cellLine.m b/ComplementaryScripts/enhanceGEM_cellLine.m index a84a21fb..7f3d408a 100644 --- a/ComplementaryScripts/enhanceGEM_cellLine.m +++ b/ComplementaryScripts/enhanceGEM_cellLine.m @@ -16,50 +16,40 @@ % % Usage: [ecModel,ecModel_batch] = enhanceGEM_cellLine(cellName) % -% Ivan Domenzain. Last edited: 2019-05-15 +% Ivan Domenzain. Last edited: 2019-11-20 current = pwd; org_name = 'homo sapiens'; %Load original model -model = load(['../models/' cellName '/' cellName '.mat']); +model = load(['../models/' cellName '/' cellName '.mat']); eval(['model = model.' cellName]) -%model = model.model; -%%%%%%%%%%%%%%%%%%%%%%%% model preprocessing %%%%%%%%%%%%%%%%%%%%%%%%%% -%model_modified = ravenCobraWrapper(model); +%% model preprocessing model_modified = modelModifications(model); % Save models -cd (['../models/' cellName]) -save('model.mat','model') -save('model_modified.mat','model_modified') -%%%%%%%%%%%%%%%%%%%%%%%% GECKO modifications %%%%%%%%%%%%%%%%%%%%%%%%%% +save(['../models/' cellName '/model_modified.mat'],'model_modified') +%% GECKO pipeline % Retrieve kcats & MWs for each rxn in the model from Uniprot database: -cd ([GECKO_path '/geckomat/get_enzyme_data']) +cd GECKO/geckomat/get_enzyme_data model_data = getEnzymeCodes(model_modified); %Tries to Match kinetic coefficients to every reaction with a non empty %grRule kcats = matchKcats(model_data,org_name); %Save ecModel data -cd (current) -cd (['../models/' cellName]) -mkdir Data -cd Data -save('enzData.mat','model_data','kcats'); -cd (current) +newDir = ['../../../../models/' cellName '/Data']; +mkdir(newDir) +save([newDir '/enzData.mat'],'model_data','kcats'); %GEt ecModel matlab structure +cd ../../.. model_data = removeFields(model_data); -cd ([GECKO_path '/geckomat/change_model']) +cd GECKO/geckomat/change_model ecModel = readKcatData(model_data,kcats); % Save output models: -cd (current) -cd (['../models/' cellName]) -save('ecModel.mat','ecModel') -cd ([GECKO_path '/geckomat/limit_proteins']) +save(['../../../../models/' cellName '/ecModel.mat'],'ecModel') +cd ../limit_proteins % Constrain total protein pool -Ptotal = 0.609; %HepG2 total protein content [g prot/gDw] +Ptotal = 0.593; %HepG2 total protein content [g prot/gDw] protCoverage = 0.5; sigma = 0.5; [ecModel_batch,~,~] = constrainEnzymes(ecModel,Ptotal,sigma,protCoverage); -cd (['../../../../models/' cellName]) -save('ecModel_batch.mat','ecModel_batch') -cd (current) +save(['../../../../models/' cellName '/ecModel_batch.mat'],'ecModel_batch') end \ No newline at end of file diff --git a/ComplementaryScripts/generate_human_ecModels_NCI60.m b/ComplementaryScripts/generate_human_ecModels_NCI60.m index 3aea1554..4226573e 100644 --- a/ComplementaryScripts/generate_human_ecModels_NCI60.m +++ b/ComplementaryScripts/generate_human_ecModels_NCI60.m @@ -4,32 +4,34 @@ % NCI60 cell-lines) with enzyme-constraints with the use of the GECKO % pipeline. % -% Ivan Domenzain. Last edited: 2019-05-15 +% Ivan Domenzain. Last edited: 2019-11-20 -load('../models/humanGEM_cellLines/11models.mat') -modelNames = who; -current = pwd; %Clone GECKO and substitute human-specific scripts git('clone https://github.com/SysBioChalmers/GECKO.git') -GECKO_path = [current '/GECKO']; %Replace scripts in GECKO: fileNames = dir('GECKO_humanFiles'); for i = 1:length(fileNames) fileName = fileNames(i).name; - if ~strcmp(fileName,'.') && ~strcmp(fileName,'..') + if ~strcmp(fileName,'.') && ~strcmp(fileName,'..') && ~strcmp(fileName,'.DS_Store') fullName = ['GECKO_humanFiles/' fileName]; GECKOpath = dir(['GECKO/**/' fileName]); GECKOpath = GECKOpath.folder; copyfile(fullName,GECKOpath) end end +clear +clc +load('../models/humanGEM_cellLines/11models.mat') +modelNames = who; +current = pwd; +GECKO_path = [current '/GECKO']; %Generate enzyme-constrained models for i=1:length(modelNames) cd (current) cellName = modelNames{i}; mkdir (['../models/' cellName]) cd (['../models/' cellName]) - save([cellName '.mat']) + save([cellName '.mat'],cellName) mkdir Data cd (current) %Models mat files are saved in their respective folder by enhanceGEM_cellLine diff --git a/ComplementaryScripts/modelModifications.m b/ComplementaryScripts/modelModifications.m index 5eae39a1..94d25392 100644 --- a/ComplementaryScripts/modelModifications.m +++ b/ComplementaryScripts/modelModifications.m @@ -1,10 +1,7 @@ function model = modelModifications(model) -[grRules, rxnGeneMat] = standardizeGrRules(model); -model.grRules = grRules; -model.rxnGeneMat = rxnGeneMat; -model.b = zeros(length(model.mets),1); -% Standardizes the metabolites names -model = modifyMetNames(model); -% Substitute biomass reaction -model = substituteBiomassRxns(model,false); +[GRR, RGM] = standardizeGrRules(model); +model.grRules = GRR; +model.rxnGeneMat = RGM; +model.b = zeros(length(model.mets),1); +model = setParam(model,'obj','biomass_human',1); end \ No newline at end of file diff --git a/ComplementaryScripts/predict_cellLines_gRates.m b/ComplementaryScripts/predict_cellLines_gRates.m new file mode 100644 index 00000000..c80a5bee --- /dev/null +++ b/ComplementaryScripts/predict_cellLines_gRates.m @@ -0,0 +1,51 @@ +%Run Growth rate prediction analysis on both models and ecModels for the +%analysed NCI60 cell-Lines subset subject to cummulative levels of exchange +%fluxes constraints. +% +% Ivan Domenzain. Last edited: 2019-12-03 +% + +cellNames = [{'HS_578T'} {'RPMI_8226'} {'HT29'} {'MALME_3M'} {'SR'}... + {'UO_31'} {'MDMAMB_231'} {'HOP62'} {'NCI_H226'} {'HOP92'} {'O_786'}]; +constraints = [{'media'} {'glucose'} {'L-lactate'} {'threonine'}]; + +pred_Grates = []; +pred_EC_Grates = []; +meanError = []; +mean_EC_error = []; +for constLevel = [0 1 2 3] + %Run growth simulations for ecModels + [meanErr,pred,meas_GRates] = ExchFluxesComparison_NCI60(constLevel,true,false); + pred_EC_Grates = [pred_EC_Grates, pred]; + mean_EC_error = [mean_EC_error; meanErr]; + %Run growth simulations for standard models + [meanErr,pred,~] = ExchFluxesComparison_NCI60(constLevel,false,false); + pred_Grates = [pred_Grates, pred]; + meanError = [meanError; meanErr]; +end +experimental = meas_GRates'; +cellNames = cellNames'; +%Write results ecModels +results = table(cellNames,experimental); +errorTable = table(cellNames); +for i=1:length(constraints) + results = [results table(pred_EC_Grates(:,i),'VariableNames',constraints(i))]; + errorVec = abs(experimental-pred_EC_Grates(:,i))./experimental; + errorTable = [errorTable table(errorVec,'VariableNames',constraints(i))]; +end +fileName = '../Results/11_cellLines_NCI60/ecModels_gRates.txt'; +writetable(results,fileName,'Delimiter','\t','QuoteStrings',false); +fileName = '../Results/11_cellLines_NCI60/ecModels_error_gRates.txt'; +writetable(errorTable,fileName,'Delimiter','\t','QuoteStrings',false); +%Write results Models +results = table(cellNames,experimental); +errorTable = table(cellNames); +for i=1:length(constraints) + results = [results table(pred_Grates(:,i),'VariableNames',constraints(i))]; + errorVec = abs(experimental-pred_Grates(:,i))./experimental; + errorTable = [errorTable table(errorVec,'VariableNames',constraints(i))]; +end +fileName = '../Results/11_cellLines_NCI60/models_gRates.txt'; +writetable(results,fileName,'Delimiter','\t','QuoteStrings',false); +fileName = '../Results/11_cellLines_NCI60/models_error_gRates.txt'; +writetable(errorTable,fileName,'Delimiter','\t','QuoteStrings',false); diff --git a/DataFiles/exchangeFluxes_NCI60.txt b/DataFiles/exchangeFluxes_NCI60.txt index 3449ef52..783c04e1 100644 --- a/DataFiles/exchangeFluxes_NCI60.txt +++ b/DataFiles/exchangeFluxes_NCI60.txt @@ -25,5 +25,5 @@ HMR_9043 phenylalanine -0.006567123 -0.002744675 -0.005369239 -0.003162452 -0.00 HMR_9069 serine -0.0325857 -0.016314407 -0.033339735 -0.024670565 -0.031649758 -0.011636228 -0.016568732 -0.017833616 -0.021499214 -0.022222852 -0.030117158 HMR_9044 threonine -0.013603744 -0.006411995 -0.011510289 -0.009353784 -0.009821513 -0.005220614 -0.004979441 -0.005240142 -0.007183311 -0.008527731 -0.008802744 HMR_9071 glutamate 0.02678411 0.056588804 0.042193442 0.016112564 0.011390914 0.038522979 0.00917449 0.016202008 0.01664521 0.015988165 0.018807129 -humanGrowthOut biomass 0.035730055 0.018333143 0.031111255 0.020798529 0.019171008 0.013033577 0.010926773 0.011473383 0.018027769 0.02270517 0.025987054 +HMR_10024 biomass 0.035730055 0.018333143 0.031111255 0.020798529 0.019171008 0.013033577 0.010926773 0.011473383 0.018027769 0.02270517 0.025987054 prot_pool_exchange Ptot 0.635989663 0.596562948 0.665 0.665 0.675602364 0.358063015 0.446059735 0.356088574 0.641657573 0.297257731 0.225610585 \ No newline at end of file diff --git a/Results/11_cellLines_NCI60/ecModels_const_0_exchangeFluxesComp.txt b/Results/11_cellLines_NCI60/ecModels_const_0_exchangeFluxesComp.txt new file mode 100644 index 00000000..c4270bc2 --- /dev/null +++ b/Results/11_cellLines_NCI60/ecModels_const_0_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 0.0079960576727861 0.018333143 0.041460295075496 0.031111255 0.0463727287308356 0.020798529 0.0469335014497534 0.019171008 0.00797608183306044 0.013033577 0.027082190750469 0.010926773 0.0314421853818057 0.011473383 0.0251347182075415 0.018027769 0.00797259805072558 0.02270517 0.0161573401637678 0.025987054 0.00280324891747961 +HMR_9034 glucose -0.891204517 -2.60924940325327 -0.437346135 -7.97594023092059 -0.826120427 -13.2351008724919 -0.848562996 -9.03144101686398 -0.898948663 -4.04617913136945 -0.549041759 -7.63516810797893 -0.479477546 -8.6913996251021 -0.26705905 -7.10919574329275 -0.398649261 -2.60968308914025 -0.594208072 -3.12804640502575 -0.864113881 -0.917592865127414 +HMR_9039 isoleucine -0.013615722 -0.00192584409364439 -0.005558778 -0.00998567890069714 -0.008957816 -0.0111688346166388 -0.01142058 -0.011303896277372 -0.004599992 -0.00192103292862714 -0.00973818 -0.00652272397649786 -0.005568708 -0.00757282519545959 -0.003331967 -0.00605367677251181 -0.007996597 -0.00192019386243882 -0.007304317 -0.00389148245257134 -0.00889841 -0.000675160259175829 +HMR_9040 leucine -0.01834798 -0.00392748721580085 -0.007998895 -0.0203643827415772 -0.016259326 -0.0227772618339179 -0.012571768 -0.0230527010284119 -0.00879963 -0.00391767552379487 -0.009163894 -0.0133021749343243 -0.006592535 -0.0154437081593553 -0.004904579 -0.0123456193630079 -0.009283825 -0.00391596436672939 -0.00911516 -0.00793612921909214 -0.010361673 -0.00137689405662735 +HMR_9041 lysine -0.022543147 -0.0030801597769224 -0.009620991 -0.0159709119739728 -0.017307958 -0.0178632295598594 -0.009254128 -0.0180792447067592 -0.015465749 -0.00307246488769685 -0.005490858 -0.01043232528255 -0.006015855 -0.0121118379424883 -0.006186391 -0.00968213977378343 -0.009191799 -0.00307112290060039 -0.013165857 -0.00622396577301696 -0.012443708 -0.00107983895485254 +HMR_9042 methionine -0.006100296 -0.000963763631892258 -0.002496251 -0.00499720314640527 -0.004789793 -0.00557777905220157 -0.003363566 -0.00565688788971356 -0.004351409 -0.0009613559469265 -0.001823891 -0.003257485172643 -0.001426579 -0.00378972188774123 -0.001965335 -0.00302948381534725 -0.00289763 -0.000960936047164247 -0.002318728 -0.00194744178633791 -0.003263032 -0.000337875171536479 +HMR_9043 phenylalanine -0.006567123 -0.00162896366574901 -0.002744675 -0.00844632655403085 -0.005369239 -0.00944709171386526 -0.003162452 -0.00956133280882 -0.004906518 -0.00162489417070063 -0.002358298 -0.00551720691954768 -0.00220937 -0.00640542873183902 -0.002257474 -0.00512046615775084 -0.003408873 -0.00162418445160216 -0.003510565 -0.00329158707190192 -0.00339599 -0.000571080252230525 +HMR_9044 threonine -0.013603744 -0.00243918867456592 -0.006411995 -0.0144899067005662 -0.011510289 -0.016220185815015 -0.009353784 -0.0163249593756953 -0.009821513 -0.00243309506643831 -0.005220614 -0.00949182985737264 -0.004979441 -0.032307062825677 -0.005240142 -0.00878430124795593 -0.007183311 -0.00243203234243561 -0.008527731 -0.00567891648353345 -0.008802744 -0.00110034766409526 +HMR_9045 tryptophan -0.001211726 -0.000422119880604051 -0.000695832 -0.00218873043733051 -0.00138647 -0.00244806272242954 -0.000865457 -0.00247766647503393 -0.00133912 -0.000421065336049094 -0.000421306 -0.00142969593190801 -0.00035138 -0.0016598644084909 -0.000467773 -0.00132688690889433 -0.000944004 -0.000420881423695854 -0.000954767 -0.000852962144585466 -0.000725178 -0.000147986313602666 +HMR_9046 valine -0.01330341 -0.00288070811334684 -0.006165194 -0.0149367367386834 -0.011472903 -0.0167065198075797 -0.008788208 -0.0169085471799719 -0.010175864 -0.00287351149647344 -0.005794702 -0.009756793887018 -0.004841612 -0.0113275519308709 -0.005347229 -0.00905518564649407 -0.007691297 -0.0028722564079726 -0.009105286 -0.00582094111930698 -0.010005055 -0.00100991541466715 +HMR_9061 alanine 0.056209087 -0.00357477471500811 0.014127935 -0.018535535957561 0.055245815 -0.0207317236714178 0.022787714 -0.0209824267326621 0.086767953 -0.00356584417327311 0.025716586 -0.0121075578345685 0.018852115 -0.0140567682084155 0.009601013 -0.011245231453769 0.012695001 -0.00356692721310784 0.032353203 -0.00722341601859621 0.0076389 -0.00125324050427819 +HMR_9062 asparagine -0.00571363 -0.00160510023123034 -0.002018538 -0.00832259244940754 -0.002396685 -0.00930869694224095 -0.004913882 -0.00942126446709336 -0.001222105 -0.00160109035207805 0.000345758 -0.00543638282947198 -0.001988739 -0.00631159267378556 -0.001628876 -0.00504545410473225 -0.001922615 -0.00160039102997957 -0.002382279 -0.00324336710591717 -0.002440472 -0.000562714236161199 +HMR_9063 glutamine -0.226698917 -0.7243757742128 -0.146252447 -0.0143282737402144 -0.228850691 -0.0160259629152717 -0.122203241 -0.0162197604993956 -0.219496506 -0.722630404701435 -0.124230534 -0.00935934107200227 -0.078432974 -0.0108661127066446 -0.091938612 -0.00868631354902383 -0.094750789 -0.722250529174786 -0.123594044 -0.00558381922653156 -0.109775824 -0.253950845279854 +HMR_9064 tyrosine -0.007986935 -0.00122048665874626 -0.003674763 -0.00632833567215816 -0.008123502 -0.00707815014119626 -0.004482545 -0.00716374427395964 -0.006833216 -0.00121743762547511 -0.002693864 -0.00413371862149812 -0.003180849 -0.00479921098004656 -0.00311885 -0.00383646410506222 -0.004976546 -0.00121690587470045 -0.004926558 -0.00246619258110387 -0.003969672 -0.000427876841930863 +HMR_9066 arginine -0.027206388 -0.00219096178164617 -0.006832754 -0.011360338517235 -0.011382525 -0.0127063711290748 -0.00129978 -0.0128600257981151 -0.005431378 -0.00218548829668819 -0.006102876 -0.00742066244712995 -0.007139201 -0.00861532386608801 -0.001574063 -0.00688704474613697 -0.00338457 -0.00218453372203858 -0.012814136 -0.00442719603090824 -0.009856139 -0.000768104920446229 +HMR_9067 glycine -0.000802262 -0.363868852733421 -0.000306523 -0.016747428059486 0.003908824 -0.0187317513521686 0.016061208 -0.0189582692954369 0.008171299 -0.362959831541295 0.004334714 -0.0109451577089295 0.006385996 -0.0127007233488319 0.002939872 -0.0101528916813002 0.000604886 -0.362801298431788 -0.00039991 -0.0065265790205452 0.0025653 -0.12756473368133 +HMR_9068 proline 0.000605661 -0.00220407611583531 -0.000675569 -0.0114283375471884 0.005380916 -0.0127824270414662 -0.001069608 -0.0129370014338428 0.00710491 -0.00219856986850259 0.001186608 -0.00746507994817979 0.001436971 -0.0086668921943327 0.001361038 -0.00692826819746916 0.002203858 -0.00219760958010157 0.002435376 -0.00445369568451083 0.000231007 -0.000772702528995787 +HMR_9069 serine -0.0325857 -0.00411847625455302 -0.016314407 -0.0177021118856301 -0.033339735 -0.0197880321495633 -0.024670565 -0.0201945244474339 -0.031649758 -0.00468403487788015 -0.011636228 -0.0115474618397132 -0.016568732 -0.103740402147488 -0.017833616 -0.0107233306460471 -0.021499214 -0.00408823945725519 -0.022222852 -0.00689862536753259 -0.030117158 -0.00119689032338374 +HMR_9070 aspartate -0.001934168 -0.00693570046479797 -0.000782986 -0.0155524901154385 -0.004150227 -1.96086406539878 0.001500354 -0.0172397019592205 -0.012462967 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-0.001427155 0 0.001458248 0 0.001948405 0.0557877185805765 0.001635996 0 -0.001200326 0 0.009506915 0 0.01603422 0 +HMR_9133 pyruvate 2.51e-07 0 6.64e-08 0 1.15e-07 0 2.87e-07 0 1.52e-07 0 5.61e-08 0 5.85e-08 0 3.08e-08 0 4.95e-08 0 1.05e-07 0 5.76e-08 0 +HMR_9135 L-lactate 1.392205968 4.4695543342611 0.679121284 12.0068815593646 1.166895089 15.3711621329625 0.932104298 13.5987406447578 1.118142634 4.47079652478229 0.767588362 9.08302703352136 0.743240244 10.5061558127969 0.317551752 8.40427095414009 0.552731028 4.47290436047905 0.687740829 5.40975909217548 0.992967126 1.5724064610093 +HMR_9146 folate 4.25e-05 -0.724952108033634 -5.73e-06 -0.00403329481920979 -2.34e-06 -0.00450926095542209 1e-05 -0.00472127601938771 8.51e-06 -0.71947596284107 -9.39e-06 -0.00262897387669195 8.43e-07 -0.00406313245946331 -3.16e-06 -0.00243680338980569 -6.98e-06 -0.719161711092812 -1.4e-05 -0.00157180059273744 -1.4e-05 -0.252864784514029 +HMR_9259 AKG 2.25e-05 0.717304958764265 1.03e-05 1.86637425334712 1.33e-05 0.144044209020428 1.95e-05 2.11312362375026 1.05e-05 0.715577253642266 6.34e-06 0.00316092673340246 4.48e-06 0.0291560527521823 8.71e-06 0.0102293465131593 2.8e-06 0.715195177732536 8.67e-06 0 1.24e-05 0.251471966742089 +HMR_9292 L-carnitine -1.19e-05 0 -2.09e-05 0 -2.46e-05 0 -1.83e-05 0 -4.72e-05 0 1.17e-06 0 -5.56e-06 0 -2.19e-05 0 -1.2e-05 0 -2.58e-05 0 9.89e-06 0 diff --git a/Results/11_cellLines_NCI60/ecModels_const_1_exchangeFluxesComp.txt b/Results/11_cellLines_NCI60/ecModels_const_1_exchangeFluxesComp.txt new file mode 100644 index 00000000..c6fb42ce --- /dev/null +++ b/Results/11_cellLines_NCI60/ecModels_const_1_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 0.00769859749658353 0.018333143 0.0309945809831753 0.031111255 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-0.00550443395899016 -0.004482545 -0.00323998439225746 -0.006833216 -0.00117614571819263 -0.002693864 -0.00320613832282703 -0.003180849 -0.00212629710086625 -0.00311885 -0.00285797201956664 -0.004976546 -0.00115580317915868 -0.004926558 -0.00215193180471703 -0.003969672 -0.000427695588035535 +HMR_9066 arginine -0.027206388 -0.00210945613170074 -0.006832754 -0.0084926779109402 -0.011382525 -0.00988130787609867 -0.00129978 -0.00581627166974383 -0.005431378 -0.00211136295488386 -0.006102876 -0.0057555127552161 -0.007139201 -0.00381703122360106 -0.001574063 -0.00513050054501779 -0.00338457 -0.00207484495999582 -0.012814136 -0.00386304947051788 -0.009856139 -0.000767779541750286 +HMR_9067 glycine -0.000802262 0.344007395512537 -0.000306523 -0.0125199184980338 0.003908824 -0.0145670388727881 0.016061208 -0.00857435640810192 0.008171299 -0.35064930047306 0.004334714 -0.00848913358482703 0.006385996 -0.00562707314760804 0.002939872 -0.00756339158877034 0.000604886 0.338365558042597 -0.00039991 -0.0056949133161465 0.0025653 -0.0226223313658413 +HMR_9068 proline 0.000605661 -0.00212208260145489 -0.000675569 -0.00854351212321071 0.005380916 -0.00994045394372908 -0.001069608 -0.00585108584635375 0.00710491 -0.0021240008382175 0.001186608 -0.00578996325012388 0.001436971 -0.00383987864316626 0.001361038 -0.00516120993450534 0.002203858 -0.00208726425933 0.002435376 -0.00388617233928261 0.000231007 -0.000772375202696288 +HMR_9069 serine -0.0325857 -0.697627050919371 -0.016314407 -3.26239932723576 -0.033339735 -10.2108751705106 -0.024670565 -0.00913348404361488 -0.031649758 -2.07434220298598 -0.011636228 -5.82444034215618 -0.016568732 -1.95632931430033 -0.017833616 -5.59377137646697 -0.021499214 -0.686180645714488 -0.022222852 -0.013665063735667 -0.030117158 -0.106084747630514 +HMR_9070 aspartate -0.001934168 0 -0.000782986 0 -0.004150227 0 0.001500354 -0.0628131106294167 -0.012462967 0 0.000128843 0 -0.00113204 -0.63214942731599 -0.006761827 0 0.002611711 0 -0.000494245 0 -0.000684778 -0.00231545571958158 +HMR_9071 glutamate 0.02678411 -0.389345810453234 0.056588804 -4.67022585356287 0.042193442 -5.15141843276946 0.016112564 -0.912132399133992 0.011390914 -0.381144148738233 0.038522979 -2.94654009379224 0.00917449 -0.0455375471670199 0.016202008 -2.8201964477379 0.01664521 -0.80587214148117 0.015988165 -1.77433817289904 0.018807129 0 +HMR_9083 choline -0.002044274 -0.000960792974115021 -0.000545279 -0.0038681559410645 -0.000966912 -0.00450063456629865 -0.001938647 -0.00264913447208244 -0.000844902 -0.000961661473957083 -0.000249379 -0.00262406947410107 -0.000990661 -0.00173854138348767 -0.000451292 -0.00233678662631021 -0.001591875 -0.00094502864031341 -0.00136736 -0.00175950129237334 -0.000571763 -0.000349700180201507 +HMR_9087 ornithine 0.007885861 0 0.000643202 0 0.003060358 7.46493262575245e-07 -0.002311655 0 -0.001427155 0 0.001458248 0 0.001948405 0.0374527235618524 0.001635996 0 -0.001200326 0 0.009506915 0 0.01603422 0 +HMR_9133 pyruvate 2.51e-07 0 6.64e-08 0 1.15e-07 0 2.87e-07 0 1.52e-07 0 5.61e-08 0 5.85e-08 0 3.08e-08 0 4.95e-08 0 1.05e-07 0 5.76e-08 0 +HMR_9135 L-lactate 1.392205968 2.25021758098559 0.679121284 4.82140022272071 1.166895089 13.0116749773086 0.932104298 3.10977378411991 1.118142634 3.98091241207437 0.767588362 7.69023987824363 0.743240244 4.50486873978429 0.317551752 6.54649162324146 0.552731028 1.68029645355525 0.687740829 1.84227357322747 0.992967126 1.46673524153762 +HMR_9146 folate 4.25e-05 -0.00440302060411036 -5.73e-06 -0.00301518073316618 -2.34e-06 -0.0381947029578101 1e-05 -0.0021353163973147 8.51e-06 -0.730333404217398 -9.39e-06 -0.0207159863155202 8.43e-07 -0.024674141256772 -3.16e-06 -0.0197740014415322 -6.98e-06 -0.000101456081479314 -1.4e-05 -0.00137150995915769 -1.4e-05 -0.147869303555173 +HMR_9259 AKG 2.25e-05 0 1.03e-05 0 1.33e-05 0 1.95e-05 0.900697542623037 1.05e-05 0 6.34e-06 0 4.48e-06 0 8.71e-06 0 2.8e-06 0 8.67e-06 0 1.24e-05 0.251482204544087 +HMR_9292 L-carnitine -1.19e-05 0 -2.09e-05 0 -2.46e-05 0 -1.83e-05 0 -4.72e-05 0 1.17e-06 0 -5.56e-06 0 -2.19e-05 0 -1.2e-05 0 -2.58e-05 0 9.89e-06 0 diff --git a/Results/11_cellLines_NCI60/ecModels_const_2_exchangeFluxesComp.txt b/Results/11_cellLines_NCI60/ecModels_const_2_exchangeFluxesComp.txt new file mode 100644 index 00000000..1b2c34ce --- /dev/null +++ b/Results/11_cellLines_NCI60/ecModels_const_2_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 0.0076985163360629 0.018333143 0.0309573507895607 0.031111255 0.0360103829254867 0.020798529 0.0212263762534149 0.019171008 0.00770392207846657 0.013033577 0.0209745235160469 0.010926773 0.013926866780765 0.011473383 0.0186922855165103 0.018027769 0.0075697773345646 0.02270517 0.0140871933587004 0.025987054 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a/Results/11_cellLines_NCI60/ecModels_const_3_exchangeFluxesComp.txt b/Results/11_cellLines_NCI60/ecModels_const_3_exchangeFluxesComp.txt new file mode 100644 index 00000000..2cf65309 --- /dev/null +++ b/Results/11_cellLines_NCI60/ecModels_const_3_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 0.0076985171642675 0.018333143 0.0210490922165196 0.031111255 0.0360055391858657 0.020798529 0.021226376254005 0.019171008 0.00770364964640846 0.013033577 0.0171380647540825 0.010926773 0.0139259068084793 0.011473383 0.0172021706482394 0.018027769 0.00756977733884394 0.02270517 0.0140871935276158 0.025987054 0.00280201332296117 +HMR_9034 glucose -0.891204517 -0.891204517 -0.437346135 -0.437346135 -0.826120427 -0.826120427 -0.848562996 -0.848562996 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serine -0.0325857 -0.697619771412067 -0.016314407 -0.741902308656074 -0.033339735 -1.11332308399459 -0.024670565 -0.00913327497312025 -0.031649758 -0.350718067171109 -0.011636228 -0.211366634191077 -0.016568732 -0.0434711459629887 -0.017833616 -0.786937771718616 -0.021499214 -0.685953700444467 -0.022222852 -0.00601474436026781 -0.030117158 -0.106186512607131 +HMR_9070 aspartate -0.001934168 0 -0.000782986 0 -0.004150227 0 0.001500354 -0.0388740602460002 -0.012462967 0 0.000128843 0 -0.00113204 -0.59465865299794 -0.006761827 0 0.002611711 0 -0.000494245 0 -0.000684778 -0.00125395061367706 +HMR_9071 glutamate 0.02678411 -0.389333481603877 0.056588804 -3.04691955929246 0.042193442 -5.14213697828486 0.016112564 -0.936049132476185 0.011390914 -0.380852077444844 0.038522979 -2.31423812846083 0.00917449 -0.0687422691871765 0.016202008 -2.5716662521 0.01664521 -0.805488411569001 0.015988165 -1.77249970283418 0.018807129 -0.00106146535582004 +HMR_9083 choline -0.002044274 -0.000960782948558435 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0.767588362 0.767588362 0.743240244 0.743240244 0.317551752 0.317551752 0.552731028 0.552731028 0.687740829 0.687740829 0.992967126 0.992967126 +HMR_9146 folate 4.25e-05 -0.00440301931901366 -5.73e-06 -0.00204767463500602 -2.34e-06 -5.93647797996517 1e-05 -0.00213526751874315 8.51e-06 -2.16097130721718 -9.39e-06 -2.83113549163651 8.43e-07 -1.90366821447557 -3.16e-06 -2.87380921786906 -6.98e-06 -0.0001014225262079 -1.4e-05 -0.00137041486484064 -1.4e-05 -0.147763178877424 +HMR_9259 AKG 2.25e-05 0 1.03e-05 0 1.33e-05 0 1.95e-05 0.924614537715412 1.05e-05 0 6.34e-06 0 4.48e-06 0.023800054800033 8.71e-06 0 2.8e-06 0 8.67e-06 0 1.24e-05 0.252539352633605 +HMR_9292 L-carnitine -1.19e-05 0 -2.09e-05 3.00254324316898e-06 -2.46e-05 0 -1.83e-05 0 -4.72e-05 0 1.17e-06 0 -5.56e-06 0 -2.19e-05 0 -1.2e-05 0 -2.58e-05 0 9.89e-06 0 diff --git a/Results/11_cellLines_NCI60/ecModels_const_4_exchangeFluxesComp.txt b/Results/11_cellLines_NCI60/ecModels_const_4_exchangeFluxesComp.txt new file mode 100644 index 00000000..878e222c --- /dev/null +++ b/Results/11_cellLines_NCI60/ecModels_const_4_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 0.00764269144062006 0.018333143 0.0210490922165196 0.031111255 0.0360624757002883 0.020798529 0.0212268621487119 0.019171008 0.00765194105996304 0.013033577 0.0142399327759389 0.010926773 0.013930504014246 0.011473383 0.0160437206654539 0.018027769 0.00750304758131281 0.02270517 0.0140984507468779 0.025987054 0.00279921477690477 +HMR_9034 glucose -0.891204517 -0.891204517 -0.437346135 -0.437346135 -0.826120427 -0.826120427 -0.848562996 -0.848562996 -0.898948663 -0.898948663 -0.549041759 -0.549041759 -0.479477546 -0.479477546 -0.26705905 -0.26705905 -0.398649261 -0.398649261 -0.594208072 -0.594208072 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-0.0063972264245347 -0.228850691 -0.0109600841742224 -0.122203241 -0.00733579659668887 -0.219496506 -0.219496506 -0.124230534 -0.00432779111330704 -0.078432974 -0.00423374972518204 -0.091938612 -0.00487599715622632 -0.094750789 -0.094750789 -0.123594044 -0.00428479198699815 -0.109775824 -0.109775824 +HMR_9064 tyrosine -0.007986935 -0.00116655023286506 -0.003674763 -0.0032128502920153 -0.008123502 -0.00550443384411299 -0.004482545 -0.00323998439227389 -0.006833216 -0.00116796205822557 -0.002693864 -0.00217352709118484 -0.003180849 -0.00212629710724365 -0.00311885 -0.00244885014967826 -0.004976546 -0.00114523554577364 -0.004926558 -0.00215193183312299 -0.003969672 -0.000427261086648375 +HMR_9066 arginine -0.027206388 -0.00209413757885996 -0.006832754 -0.00576756177506051 -0.011382525 -0.00988130766987642 -0.00129978 -0.00581627166977333 -0.005431378 -0.00209667202312044 -0.006102876 -0.00390181634025432 -0.007139201 -0.00381703123504948 -0.001574063 -0.00439606369186787 -0.00338457 -0.00205587442827951 -0.012814136 -0.00386304952151097 -0.009856139 -0.000766999544749486 +HMR_9067 glycine -0.000802262 0.341509265598105 -0.000306523 -0.00849954566515093 0.003908824 -0.014567038568775 0.016061208 -0.00857435640814541 0.008171299 -0.348209471293419 0.004334714 -0.00575501115966795 0.006385996 -0.00562707316448531 0.002939872 -0.00648068367969676 0.000604886 0.33527184517522 -0.00039991 -0.00569491339132058 0.0025653 0.119518481375711 +HMR_9068 proline 0.000605661 -0.00210667235709172 -0.000675569 -0.00580208439120482 0.005380916 -0.00994045373627246 -0.001069608 -0.00585108584638343 0.00710491 -0.00210922197165288 0.001186608 -0.00392517125400014 0.001436971 -0.00383987865468324 0.001361038 -0.00442237699813128 0.002203858 -0.00206818017661762 0.002435376 -0.00388617239058092 0.000231007 -0.000771590536905087 +HMR_9069 serine -0.0325857 -0.692560988306324 -0.016314407 -1.65422959211378 -0.033339735 -10.2108749164595 -0.024670565 -0.00913348404366118 -0.031649758 -2.46843175340855 -0.011636228 -3.63837313651766 -0.016568732 -1.9563291711534 -0.017833616 -4.72538863071756 -0.021499214 -0.679906821909037 -0.022222852 -0.013665079598219 -0.030117158 -0.384200387345362 +HMR_9070 aspartate -0.001934168 0 -0.000782986 0 -0.004150227 0 0.001500354 -0.0628131369859972 -0.012462967 0 0.000128843 0 -0.00113204 -0.632149429211995 -0.006761827 0 0.002611711 0 -0.000494245 0 -0.000684778 -0.146239311189776 +HMR_9071 glutamate 0.02678411 -1.05371120343524 0.056588804 -3.04691955929246 0.042193442 -5.15141830993428 0.016112564 -0.91213237278236 0.011390914 -1.05726210741786 0.038522979 -1.84167493460527 0.00917449 -0.0455375473036007 0.016202008 -2.38250014873308 0.01664521 -1.64020975645685 0.015988165 -1.77433820328295 0.018807129 0 +HMR_9083 choline -0.002044274 -0.000953815840188482 -0.000545279 -0.00262694859967755 -0.000966912 -0.00450063447237071 -0.001938647 -0.00264913447209587 -0.000844902 -0.00095497020230209 -0.000249379 -0.00177892701961803 -0.000990661 -0.00173854138870208 -0.000451292 -0.00200227302451814 -0.001591875 -0.000936388141317323 -0.00136736 -0.00175950131559914 -0.000571763 -0.000349344915341083 +HMR_9087 ornithine 0.007885861 0 0.000643202 0 0.003060358 7.4649324699591e-07 -0.002311655 0 -0.001427155 0 0.001458248 0 0.001948405 0.0374527236741844 0.001635996 0 -0.001200326 0 0.009506915 0 0.01603422 0 +HMR_9133 pyruvate 2.51e-07 0 6.64e-08 0 1.15e-07 0 2.87e-07 0 1.52e-07 0 5.61e-08 0 5.85e-08 0 3.08e-08 0 4.95e-08 0 1.05e-07 0 5.76e-08 0 +HMR_9135 L-lactate 1.392205968 2.44802987182594 0.679121284 3.14957934726525 1.166895089 13.0116747184439 0.932104298 3.10977381048765 1.118142634 4.57924893435994 0.767588362 5.43262186963242 0.743240244 4.50486860284309 0.317551752 5.66066307034432 0.552731028 1.92896649403516 0.687740829 1.84227360450563 0.992967126 1.7469686879998 +HMR_9146 folate 4.25e-05 -0.00439695433099555 -5.73e-06 -0.00204767463500602 -2.34e-06 -0.0381947073106819 1e-05 -0.00213531639732552 8.51e-06 -0.725480888956319 -9.39e-06 -0.0132658932863582 8.43e-07 -0.0246742165571003 -3.16e-06 -0.0167753661575538 -6.98e-06 -0.000100528457561082 -1.4e-05 -0.00137150997726204 -1.4e-05 -0.0056012508217289 +HMR_9259 AKG 2.25e-05 0 1.03e-05 0 1.33e-05 0 1.95e-05 0.900697516271348 1.05e-05 0 6.34e-06 0 4.48e-06 0 8.71e-06 0 2.8e-06 0 8.67e-06 0 1.24e-05 0.107300512803125 +HMR_9292 L-carnitine -1.19e-05 0 -2.09e-05 3.00254324316909e-06 -2.46e-05 0 -1.83e-05 0 -4.72e-05 0 1.17e-06 0 -5.56e-06 0 -2.19e-05 0 -1.2e-05 0 -2.58e-05 0 9.89e-06 0 diff --git a/Results/11_cellLines_NCI60/ecModels_const_5_exchangeFluxesComp.txt b/Results/11_cellLines_NCI60/ecModels_const_5_exchangeFluxesComp.txt new file mode 100644 index 00000000..37fb182a --- /dev/null +++ b/Results/11_cellLines_NCI60/ecModels_const_5_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 0.00757695413016268 0.018333143 0.0210490922165196 0.031111255 0.035381147373977 0.020798529 0.0212268621491105 0.019171008 0.00762023184928535 0.013033577 0.0142399327759389 0.010926773 0.0139297792227043 0.011473383 0.016043720665454 0.018027769 0.00743839234270145 0.02270517 0.0140984507845674 0.025987054 0.00278218584940731 +HMR_9034 glucose -0.891204517 -0.891204517 -0.437346135 -0.437346135 -0.826120427 -0.826120427 -0.848562996 -0.848562996 -0.898948663 -0.898948663 -0.549041759 -0.549041759 -0.479477546 -0.479477546 -0.26705905 -0.26705905 -0.398649261 -0.398649261 -0.594208072 -0.594208072 -0.864113881 -0.864113881 +HMR_9039 isoleucine -0.013615722 -0.00182490334068638 -0.005558778 -0.00506965702107498 -0.008957816 -0.00852152104010445 -0.01142058 -0.00511247276712355 -0.004599992 -0.0018353267447149 -0.00973818 -0.00342967641713866 -0.005568708 -0.00335497618196495 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-0.00948983276444572 0.086767953 -0.00340675533519923 0.025716586 -0.00636620616233058 0.018852115 -0.00622754669722363 0.009601013 0.683949520571306 0.012695001 -0.00332792446077727 0.032353203 -0.00630295421167183 0.0076389 -0.00124382389846486 +HMR_9062 asparagine -0.00571363 -0.00152097087390169 -0.002018538 -0.00422532004726678 -0.002396685 -0.00710228592077896 -0.004913882 -0.00426100495245182 -0.001222105 -0.00152965828960248 0.000345758 -0.0526094458366325 -0.001988739 -0.00279621443044942 -0.001628876 -0.00322055953117487 -0.001922615 -0.00149315647258107 -0.002382279 -0.00283007296099378 -0.002440472 -0.000558486110650258 +HMR_9063 glutamine -0.226698917 -0.226698917 -0.146252447 -0.0063972264245347 -0.228850691 -0.0107530153121533 -0.122203241 -0.00733579659682664 -0.219496506 -0.219496506 -0.124230534 -0.00432779111330704 -0.078432974 -0.00481399588401918 -0.091938612 -0.00487599715622634 -0.094750789 -0.094750789 -0.123594044 -0.00428479199845272 -0.109775824 -0.109775824 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0.001948405 0.024077218652368 0.001635996 0 -0.001200326 0 0.009506915 0 0.01603422 0 +HMR_9133 pyruvate 2.51e-07 0 6.64e-08 0 1.15e-07 0 2.87e-07 0 1.52e-07 0 5.61e-08 0 5.85e-08 0 3.08e-08 0 4.95e-08 0 1.05e-07 0 5.76e-08 0 +HMR_9135 L-lactate 1.392205968 2.72529902183364 0.679121284 2.23725206380754 1.166895089 5.53964430082142 0.932104298 3.10977400851817 1.118142634 2.53750144428823 0.767588362 1.89811769435874 0.743240244 2.5696271383654 0.317551752 2.53334954237661 0.552731028 2.20581991151901 0.687740829 1.8422736108426 0.992967126 1.85578168473421 +HMR_9146 folate 4.25e-05 -0.654122370935836 -5.73e-06 -1.44912900010956 -2.34e-06 -5.45646455551085 1e-05 -0.00213531639736595 8.51e-06 -1.93204476264399 -9.39e-06 -1.82135598827969 8.43e-07 -1.00679502458002 -3.16e-06 -2.66467865395329 -6.98e-06 -0.652648379112102 -1.4e-05 -0.00137150998092849 -1.4e-05 -0.222035546742646 +HMR_9259 AKG 2.25e-05 0 1.03e-05 0 1.33e-05 0 1.95e-05 0.900697318300219 1.05e-05 0 6.34e-06 0 4.48e-06 0 8.71e-06 0 2.8e-06 0 8.67e-06 0 1.24e-05 0.0376867085326885 +HMR_9292 L-carnitine -1.19e-05 0 -2.09e-05 3.0025432431705e-06 -2.46e-05 0 -1.83e-05 0 -4.72e-05 0 1.17e-06 0 -5.56e-06 0 -2.19e-05 0 -1.2e-05 0 -2.58e-05 0 9.89e-06 0 diff --git a/Results/11_cellLines_NCI60/ecModels_error_gRates.txt b/Results/11_cellLines_NCI60/ecModels_error_gRates.txt new file mode 100644 index 00000000..8054e12c --- /dev/null +++ b/Results/11_cellLines_NCI60/ecModels_error_gRates.txt @@ -0,0 +1,12 @@ +cellNames media glucose L-lactate threonine +HS_578T 0.776209197752813 0.784534406773694 0.784536678265317 0.784536655085823 +RPMI_8226 1.26149411890236 0.690631059997477 0.688600301080981 0.148144222543816 +HT29 0.490545101148624 0.159145667794816 0.157471240729012 0.157315549818408 +MALME_3M 1.25657792672517 0.0205943962962086 0.0205710342983828 0.0205710343267557 +SR 0.583950836958576 0.598062002168008 0.598147260776973 0.598161471404714 +UO_31 1.07787860158949 0.611615793124285 0.609268393169954 0.31491644650448 +MDMAMB_231 1.87753624805838 0.27489643762749 0.274563567923027 0.274475712864111 +HOP62 1.19069808857087 0.631959447292192 0.629186920414866 0.499311114101164 +NCI_H226 0.557760139331407 0.579965675621977 0.580104596716066 0.580104596478692 +HOP92 0.288384972948108 0.379064302941783 0.379560102007586 0.379560094568076 +O_786 0.892129022494062 0.892174717967501 0.892176569055743 0.892176569034675 diff --git a/Results/11_cellLines_NCI60/ecModels_gRates.txt b/Results/11_cellLines_NCI60/ecModels_gRates.txt new file mode 100644 index 00000000..5240b258 --- /dev/null +++ b/Results/11_cellLines_NCI60/ecModels_gRates.txt @@ -0,0 +1,12 @@ +cellNames experimental media glucose L-lactate threonine +HS_578T 0.035730055 0.0079960576727861 0.00769859749658353 0.0076985163360629 0.0076985171642675 +RPMI_8226 0.018333143 0.041460295075496 0.0309945809831753 0.0309573507895607 0.0210490922165196 +HT29 0.031111255 0.0463727287308356 0.0360624764529098 0.0360103829254867 0.0360055391858657 +MALME_3M 0.020798529 0.0469335014497534 0.0212268621486042 0.0212263762534149 0.021226376254005 +SR 0.019171008 0.00797608183306044 0.00770555657194109 0.00770392207846657 0.00770364964640846 +UO_31 0.013033577 0.027082190750469 0.0210051185341014 0.0209745235160469 0.0171380647540825 +MDMAMB_231 0.010926773 0.0314421853818057 0.0139305039724642 0.013926866780765 0.0139259068084793 +HOP62 0.011473383 0.0251347182075415 0.0187240957792516 0.0186922855165103 0.0172021706482394 +NCI_H226 0.018027769 0.00797259805072558 0.00757228177195807 0.0075697773345646 0.00756977733884394 +HOP92 0.02270517 0.0161573401637678 0.0140984505607753 0.0140871933587004 0.0140871935276158 +O_786 0.025987054 0.00280324891747961 0.00280206142674378 0.00280201332241368 0.00280201332296117 diff --git a/Results/11_cellLines_NCI60/models_const_0_exchangeFluxesComp.txt b/Results/11_cellLines_NCI60/models_const_0_exchangeFluxesComp.txt new file mode 100644 index 00000000..69147032 --- /dev/null +++ b/Results/11_cellLines_NCI60/models_const_0_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 5.99609047559157 0.018333143 11.0465747963952 0.031111255 11.0465747963952 0.020798529 11.0465747963952 0.019171008 5.94438161117036 0.013033577 11.046574796395 0.010926773 11.0465747963952 0.011473383 11.0465747963952 0.018027769 5.97629323937798 0.02270517 11.0465747963952 0.025987054 6.00613938934765 +HMR_9034 glucose -0.891204517 -1000 -0.437346135 -64.8098031043848 -0.826120427 -93.7173966673046 -0.848562996 -91.8970539815544 -0.898948663 -1000 -0.549041759 -93.6850928908817 -0.479477546 -89.9686337124328 -0.26705905 -91.900501507084 -0.398649261 -951.636908885944 -0.594208072 -93.4421958033421 -0.864113881 -945.370966359419 +HMR_9039 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/dev/null +++ b/Results/11_cellLines_NCI60/models_const_1_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 3.06522160256678 0.018333143 11.0465747963951 0.031111255 11.0465747963952 0.020798529 11.0465747963952 0.019171008 3.05398198463461 0.013033577 11.0465747963952 0.010926773 11.0465747963952 0.011473383 11.0465747963952 0.018027769 3.05229527685814 0.02270517 11.0465747963952 0.025987054 3.06693574596869 +HMR_9034 glucose -0.891204517 -0.891204517 -0.437346135 -0.437346135 -0.826120427 -0.826120427 -0.848562996 -0.848562996 -0.898948663 -0.898948663 -0.549041759 -0.549041759 -0.479477546 -0.479477546 -0.26705905 -0.26705905 -0.398649261 -0.398649261 -0.594208072 -0.594208072 -0.864113881 -0.864113881 +HMR_9039 isoleucine -0.013615722 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0 5.61e-08 21.8800593587867 5.85e-08 0 3.08e-08 0 4.95e-08 0 1.05e-07 0 5.76e-08 0 +HMR_9135 L-lactate 1.392205968 725.047010516884 0.679121284 1000 1.166895089 1000 0.932104298 1000 1.118142634 724.737692892671 0.767588362 1000 0.743240244 878.697592451315 0.317551752 1000 0.552731028 1000 0.687740829 1000 0.992967126 384.851358092946 +HMR_9146 folate 4.25e-05 -410.13189115423 -5.73e-06 -431.476989406494 -2.34e-06 -76.2089884883612 1e-05 -57.6931384186008 8.51e-06 -426.003656544508 -9.39e-06 -49.5111232071002 8.43e-07 -247.63450105123 -3.16e-06 -103.02716714206 -6.98e-06 -328.926578278879 -1.4e-05 -111.455831638347 -1.4e-05 -426.673866467722 +HMR_9259 AKG 2.25e-05 0 1.03e-05 0 1.33e-05 0 1.95e-05 0 1.05e-05 0 6.34e-06 0 4.48e-06 0 8.71e-06 0 2.8e-06 0 8.67e-06 0 1.24e-05 0 +HMR_9292 L-carnitine -1.19e-05 0 -2.09e-05 0 -2.46e-05 0 -1.83e-05 0 -4.72e-05 0 1.17e-06 0 -5.56e-06 0 -2.19e-05 0 -1.2e-05 0 -2.58e-05 0 9.89e-06 0 diff --git a/Results/11_cellLines_NCI60/models_const_2_exchangeFluxesComp.txt b/Results/11_cellLines_NCI60/models_const_2_exchangeFluxesComp.txt new file mode 100644 index 00000000..5f650400 --- /dev/null +++ b/Results/11_cellLines_NCI60/models_const_2_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 3.06522160256679 0.018333143 11.0465747963952 0.031111255 11.0465747963951 0.020798529 11.0465747963952 0.019171008 3.05398198463462 0.013033577 11.0465747963952 0.010926773 11.0465747963952 0.011473383 11.0465747963952 0.018027769 3.05229527685813 0.02270517 11.0465747963951 0.025987054 3.0669357459686 +HMR_9034 glucose -0.891204517 -0.891204517 -0.437346135 -0.437346135 -0.826120427 -0.826120427 -0.848562996 -0.848562996 -0.898948663 -0.898948663 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0.00101576911902157 +HMR_9133 pyruvate 2.51e-07 723.654804548756 6.64e-08 675.312256631886 1.15e-07 1000 2.87e-07 1000 1.52e-07 723.619550258745 5.61e-08 1000 5.85e-08 874.072271047023 3.08e-08 1000 4.95e-08 915.036627233318 1.05e-07 679.646061118344 5.76e-08 383.82171421107 +HMR_9135 L-lactate 1.392205968 1.392205968 0.679121284 0.679121284 1.166895089 1.166895089 0.932104298 0.932104298 1.118142634 1.118142634 0.767588362 0.767588362 0.743240244 0.743240244 0.317551752 0.317551752 0.552731028 0.552731028 0.687740829 0.687740829 0.992967126 0.992967126 +HMR_9146 folate 4.25e-05 -667.278934876827 -5.73e-06 -656.242704329619 -2.34e-06 -449.215253735756 1e-05 -593.935086350587 8.51e-06 -666.944162074599 -9.39e-06 -466.12558340122 8.43e-07 -537.345737829742 -3.16e-06 -405.63555957869 -6.98e-06 -665.038056864403 -1.4e-05 -496.952057541568 -1.4e-05 -555.415578079655 +HMR_9259 AKG 2.25e-05 0 1.03e-05 0 1.33e-05 0 1.95e-05 0 1.05e-05 0 6.34e-06 0 4.48e-06 0 8.71e-06 0 2.8e-06 0 8.67e-06 0 1.24e-05 0 +HMR_9292 L-carnitine -1.19e-05 0 -2.09e-05 0 -2.46e-05 0 -1.83e-05 0 -4.72e-05 0 1.17e-06 0 -5.56e-06 0 -2.19e-05 0 -1.2e-05 0 -2.58e-05 0 9.89e-06 0 diff --git a/Results/11_cellLines_NCI60/models_const_3_exchangeFluxesComp.txt b/Results/11_cellLines_NCI60/models_const_3_exchangeFluxesComp.txt new file mode 100644 index 00000000..b4a65c2a --- /dev/null +++ b/Results/11_cellLines_NCI60/models_const_3_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 0.044702638576756 0.018333143 0.0210701623789237 0.031111255 0.0377018634816189 0.020798529 0.0307370401469656 0.019171008 0.0322740229392666 0.013033577 0.0171552199740566 0.010926773 0.0163627124516075 0.011473383 0.0172193900382776 0.018027769 0.023604748473467 0.02270517 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-0.160386931637514 -1.4e-05 -1.11675518532221 +HMR_9259 AKG 2.25e-05 0 1.03e-05 0 1.33e-05 0 1.95e-05 0 1.05e-05 0 6.34e-06 0 4.48e-06 0 8.71e-06 0 2.8e-06 0 8.67e-06 0 1.24e-05 0 +HMR_9292 L-carnitine -1.19e-05 0 -2.09e-05 0 -2.46e-05 0 -1.83e-05 0 -4.72e-05 0 1.17e-06 0 -5.56e-06 0 -2.19e-05 0 -1.2e-05 0 -2.58e-05 0 9.89e-06 0 diff --git a/Results/11_cellLines_NCI60/models_const_5_exchangeFluxesComp.txt b/Results/11_cellLines_NCI60/models_const_5_exchangeFluxesComp.txt new file mode 100644 index 00000000..35329566 --- /dev/null +++ b/Results/11_cellLines_NCI60/models_const_5_exchangeFluxesComp.txt @@ -0,0 +1,28 @@ +exchangeIDs exchangeMets exp_HS_578T HS_578T exp_RPMI_8226 RPMI_8226 exp_HT29 HT29 exp_MALME_3M MALME_3M exp_SR SR exp_UO_31 UO_31 exp_MDMAMB_231 MDMAMB_231 exp_HOP62 HOP62 exp_NCI_H226 NCI_H226 exp_HOP92 HOP92 exp_O_786 O_786 +HMR_10024 biomass 0.035730055 0.044702638576756 0.018333143 0.0210701623788985 0.031111255 0.0377018634818042 0.020798529 0.02402358077565 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-0.0103923433550941 -0.001069608 -0.00190575930674835 0.00710491 -0.00889618434900217 0.001186608 -0.0039121626791929 0.001436971 -0.00430412658927743 0.001361038 -0.00441303961217755 0.002203858 -0.00650653915463077 0.002435376 -0.00772429533558929 0.000231007 -0.00797339813133401 +HMR_9069 serine -0.0325857 -0.0325857 -0.016314407 -0.00901681059859205 -0.033339735 -0.033339735 -0.024670565 -0.024670565 -0.031649758 -0.031649758 -0.011636228 -0.011636228 -0.016568732 -0.016568732 -0.017833616 -0.017833616 -0.021499214 -0.021499214 -0.022222852 -0.022222852 -0.030117158 -0.030117158 +HMR_9070 aspartate -0.001934168 -4.26639133904392 -0.000782986 -0.127448335420967 -0.004150227 -1.59723575153386 0.001500354 -1.08574056315539 -0.012462967 -0.960314236861891 0.000128843 -0.646996308848709 -0.00113204 -0.708875429676148 -0.006761827 -0.728957359298135 0.002611711 0 -0.000494245 -0.642197690210317 -0.000684778 0 +HMR_9071 glutamate 0.02678411 -3.40452298412057 0.056588804 -0.0104140880922896 0.042193442 -0.0186328720666436 0.016112564 -0.0165890720575233 0.011390914 0 0.038522979 -0.00704524037579817 0.00917449 -0.00771885642291645 0.016202008 -0.00793234969541487 0.01664521 0 0.015988165 -0.0138039201893891 0.018807129 -0.0226545999354919 +HMR_9083 choline -0.002044274 -0.00557893578512327 -0.000545279 -0.00262443315792564 -0.000966912 -0.00470523177246718 -0.001938647 -0.00299816786532513 -0.000844902 -0.00402783162780433 -0.000249379 -0.00177893735733434 -0.000990661 -0.00194902676334456 -0.000451292 -0.00200427730182916 -0.001591875 -0.00294589715842709 -0.00136736 -0.00349724779013574 -0.000571763 -0.00361003143758653 +HMR_9087 ornithine 0.007885861 0 0.000643202 0 0.003060358 0 -0.002311655 0 -0.001427155 0 0.001458248 0 0.001948405 0 0.001635996 0 -0.001200326 0 0.009506915 0 0.01603422 0 +HMR_9133 pyruvate 2.51e-07 0 6.64e-08 0 1.15e-07 0 2.87e-07 0 1.52e-07 0 5.61e-08 0 5.85e-08 0 3.08e-08 0 4.95e-08 0 1.05e-07 0 5.76e-08 0 +HMR_9135 L-lactate 1.392205968 6.23387516091424 0.679121284 1.16713237876614 1.166895089 2.99208486236032 0.932104298 1.8286182834429 1.118142634 2.2456102721499 0.767588362 1.04791113141369 0.743240244 1.18184608257713 0.317551752 1.18672071203033 0.552731028 1.10624507936596 0.687740829 1.07969480803388 0.992967126 2.12949061799133 +HMR_9146 folate 4.25e-05 -2.63490710864463 -5.73e-06 -0.00204972435936539 -2.34e-06 -0.438935932374263 1e-05 -0.235126912661024 8.51e-06 -1.2406394477718 -9.39e-06 -0.109872733323485 8.43e-07 -0.102630534819257 -3.16e-06 -0.126047094327787 -6.98e-06 -9.77236586985342e-07 -1.4e-05 -0.159872007044826 -1.4e-05 -2.23876586166924e-05 +HMR_9259 AKG 2.25e-05 0 1.03e-05 0 1.33e-05 0 1.95e-05 0 1.05e-05 0 6.34e-06 0 4.48e-06 0 8.71e-06 0 2.8e-06 0 8.67e-06 0 1.24e-05 0 +HMR_9292 L-carnitine -1.19e-05 0 -2.09e-05 0 -2.46e-05 0 -1.83e-05 0 -4.72e-05 0 1.17e-06 0 -5.56e-06 0 -2.19e-05 0 -1.2e-05 0 -2.58e-05 0 9.89e-06 0 diff --git a/Results/11_cellLines_NCI60/models_error_gRates.txt b/Results/11_cellLines_NCI60/models_error_gRates.txt new file mode 100644 index 00000000..41ced388 --- /dev/null +++ b/Results/11_cellLines_NCI60/models_error_gRates.txt @@ -0,0 +1,12 @@ +cellNames media glucose L-lactate threonine +HS_578T 166.816435647568 84.7883258944545 84.7883258944545 0.251121459979728 +RPMI_8226 601.546698970011 601.546698970006 601.546698970013 0.14929351606125 +HT29 354.066833414312 354.066833414313 354.066833414311 0.211840007149147 +MALME_3M 530.122888373269 530.122888373269 530.122888373269 0.477846829790974 +SR 309.071416754422 158.302107882622 158.302107882622 0.683480750687006 +UO_31 846.547438158767 846.547438158779 846.547438158779 0.316232679183664 +MDMAMB_231 1009.96406014797 1009.96406014797 1009.96406014797 0.497488092011014 +HOP62 961.800143287748 961.800143287746 961.800143287746 0.500811926027192 +NCI_H226 330.504871145064 168.310760352994 168.310760352994 0.30935494422338 +HOP92 485.52244384848 485.52244384848 485.522443848478 0.234194032011593 +O_786 230.120441330043 117.017830954162 117.017830954159 0.113103967174555 diff --git a/Results/11_cellLines_NCI60/models_gRates.txt b/Results/11_cellLines_NCI60/models_gRates.txt new file mode 100644 index 00000000..14282b80 --- /dev/null +++ b/Results/11_cellLines_NCI60/models_gRates.txt @@ -0,0 +1,12 @@ +cellNames experimental media glucose L-lactate threonine +HS_578T 0.035730055 5.99609047559157 3.06522160256678 3.06522160256679 0.044702638576756 +RPMI_8226 0.018333143 11.0465747963952 11.0465747963951 11.0465747963952 0.0210701623789237 +HT29 0.031111255 11.0465747963952 11.0465747963952 11.0465747963951 0.0377018634816189 +MALME_3M 0.020798529 11.0465747963952 11.0465747963952 11.0465747963952 0.0307370401469656 +SR 0.019171008 5.94438161117036 3.05398198463461 3.05398198463462 0.0322740229392666 +UO_31 0.013033577 11.046574796395 11.0465747963952 11.0465747963952 0.0171552199740566 +MDMAMB_231 0.010926773 11.0465747963952 11.0465747963952 11.0465747963952 0.0163627124516075 +HOP62 0.011473383 11.0465747963952 11.0465747963952 11.0465747963952 0.0172193900382776 +NCI_H226 0.018027769 5.97629323937798 3.05229527685814 3.05229527685813 0.023604748473467 +HOP92 0.02270517 11.0465747963952 11.0465747963952 11.0465747963951 0.0280225853098087 +O_786 0.025987054 6.00613938934765 3.06693574596869 3.0669357459686 0.0289262929025794 diff --git a/Results/FVA/FVA_comp_HOP92.txt b/Results/FVA/FVA_comp_HOP92.txt new file mode 100644 index 00000000..6906299c --- /dev/null +++ b/Results/FVA/FVA_comp_HOP92.txt @@ -0,0 +1,2489 @@ +rxns formulas model_ranges ecModel_ranges subSystems +HMR_4097 acetate[c] + ATP[c] + CoA[c] => acetyl-CoA[c] + AMP[c] + PPi[c] 1000 0.0020735 Glycolysis / Gluconeogenesis +HMR_4099 acetate[m] + ATP[m] + CoA[m] => acetyl-CoA[m] + AMP[m] + PPi[m] 999.9998959 0.000922115 Glycolysis / Gluconeogenesis +HMR_4108 acetyl adenylate[c] + CoA[c] => acetyl-CoA[c] + AMP[c] + H+[c] 1000 0.002035483 Glycolysis / Gluconeogenesis +HMR_4133 acetate[c] + ATP[c] + H+[c] => acetyl adenylate[c] + PPi[c] 1000 0.002035483 Glycolysis / Gluconeogenesis +HMR_4281 H+[p] + NADH[p] + pyruvate[p] <=> L-lactate[p] + NAD+[p] 999.9999888 0.000784782 Glycolysis / Gluconeogenesis +HMR_4388 H+[c] + NADH[c] + pyruvate[c] <=> L-lactate[c] + NAD+[c] 2000 1.697241933 Glycolysis / Gluconeogenesis +HMR_4283 acetaldehyde[c] + H2O[c] + NADP+[c] => acetate[c] + 2 H+[c] + NADPH[c] 1000 0.000166299 Glycolysis / Gluconeogenesis +HMR_8357 acetaldehyde[m] + H2O[m] + NAD+[m] => acetate[m] + 2 H+[m] + NADH[m] 1000 0.000165829 Glycolysis / Gluconeogenesis +HMR_4379 "ATP[c] + fructose-6-phosphate[c] => ADP[c] + fructose-1,6-bisphosphate[c] + H+[c]" 1000 0.352053917 Glycolysis / Gluconeogenesis +HMR_4301 "fructose-6-phosphate[c] + UTP[c] => fructose-1,6-bisphosphate[c] + H+[c] + UDP[c]" 1000 0.368889704 Glycolysis / Gluconeogenesis +HMR_4355 "DHAP[c] + erythrose-4-phosphate[c] => sedoheptulose-1,7-bisphosphate[c]" 1000 0.132043465 Glycolysis / Gluconeogenesis +HMR_4358 ADP[c] + H+[c] + PEP[c] => ATP[c] + pyruvate[c] 1000 0.137406369 Glycolysis / Gluconeogenesis +HMR_4360 H2O[c] + methylglyoxal[c] + NADP+[c] => 2 H+[c] + NADPH[c] + pyruvate[c] 1000 0.000379418 Glycolysis / Gluconeogenesis +HMR_4363 2-phospho-D-glycerate[c] <=> H2O[c] + PEP[c] 2000 0.004436649 Glycolysis / Gluconeogenesis +HMR_4365 2-phospho-D-glycerate[c] <=> 3-phospho-D-glycerate[c] 2000 0.002537433 Glycolysis / Gluconeogenesis +HMR_4368 "1,3-bisphospho-D-glycerate[c] + ADP[c] <=> 3-phospho-D-glycerate[c] + ATP[c]" 1999.999995 0.004287168 Glycolysis / Gluconeogenesis +HMR_4370 "1,3-bisphospho-D-glycerate[c] + H2O[c] => 3-phospho-D-glycerate[c] + H+[c] + Pi[c]" 1000 0.001682029 Glycolysis / Gluconeogenesis +HMR_4371 "1,3-bisphospho-D-glycerate[c] => 2,3-bisphospho-D-glycerate[c] + H+[c]" 999.9999948 3.78E-06 Glycolysis / Gluconeogenesis +HMR_4372 "2,3-bisphospho-D-glycerate[c] + H2O[c] => 3-phospho-D-glycerate[c] + Pi[c]" 999.9999948 3.78E-06 Glycolysis / Gluconeogenesis +HMR_4375 "DHAP[c] + GAP[c] <=> fructose-1,6-bisphosphate[c]" 2000 0.169404835 Glycolysis / Gluconeogenesis +HMR_4377 "fructose-1,6-bisphosphate[c] + H2O[c] => fructose-6-phosphate[c] + Pi[c]" 1000 0.001608167 Glycolysis / Gluconeogenesis +HMR_4394 ATP[c] + glucose[c] => ADP[c] + glucose-6-phosphate[c] + H+[c] 1000 1.000164321 Glycolysis / Gluconeogenesis +HMR_4396 glucose-1-phosphate[c] <=> glucose-6-phosphate[c] 999.9968577 3.60E-06 Glycolysis / Gluconeogenesis +HMR_4521 glucose-6-phosphate[r] + H2O[r] => glucose[r] + Pi[r] 499.9980282 0.000164321 Glycolysis / Gluconeogenesis +HMR_6410 H+[m] + lipoamide[m] + pyruvate[m] => CO2[m] + S-acetyldihydrolipoamide[m] 1000 0.035221233 Glycolysis / Gluconeogenesis +HMR_6412 CoA[m] + S-acetyldihydrolipoamide[m] => acetyl-CoA[m] + dihydrolipoamide[m] 1000 0.035221233 Glycolysis / Gluconeogenesis +HMR_7746 ATP[c] + beta-D-glucose[c] => ADP[c] + beta-D-glucose-6-phosphate[c] + H+[c] 1000 0.051012565 Glycolysis / Gluconeogenesis +HMR_7747 ADP[c] + beta-D-glucose[c] => AMP[c] + beta-D-glucose-6-phosphate[c] + H+[c] 1000 1.000093777 Glycolysis / Gluconeogenesis +HMR_4122 H2O[c] + 2 NAD+[c] + UDP-glucose[c] => 3 H+[c] + 2 NADH[c] + UDP-glucuronate[c] 60.15459834 1.55E-08 Starch and sucrose metabolism +HMR_5395 glycogenin[c] + 8 UDP-glucose[c] => glycogenin G8[c] + 8 H+[c] + 8 UDP[c] 181.8135596 2.85E-07 Starch and sucrose metabolism +HMR_5396 glycogenin G8[c] + 3 UDP-glucose[c] => glycogenin G11[c] + 3 H+[c] + 3 UDP[c] 181.8135596 2.85E-07 Starch and sucrose metabolism +HMR_9727 UDP-glucose[c] => H+[c] + UDP[c] + glycogen[c] 3.11E-07 3.11E-07 Starch and sucrose metabolism +HMR_5397 glycogenin G11[c] => glycogenin G4G7[c] 181.8135596 2.85E-07 Starch and sucrose metabolism +HMR_5398 glycogenin G4G7[c] + 3 Pi[c] => 3 glucose-1-phosphate[c] + glycogenin G4G4[c] 181.8135596 2.85E-07 Starch and sucrose metabolism +HMR_5399 glycogenin G4G4[c] => glycogenin G7G1[c] 181.8135596 2.85E-07 Starch and sucrose metabolism +HMR_5400 glycogenin G7G1[c] + H2O[c] => glucose[c] + glycogenin G7[c] 181.8135596 2.85E-07 Starch and sucrose metabolism +HMR_5401 glycogenin G7[c] + 7 Pi[c] => 7 glucose-1-phosphate[c] + glycogenin[c] 181.8135596 2.85E-07 Starch and sucrose metabolism +HMR_3944 glucose-1-phosphate[c] + H+[c] + UTP[c] => PPi[c] + UDP-glucose[c] 1000 0.00396552 Galactose metabolism +HMR_4130 ATP[c] + galactose[c] => ADP[c] + alpha-D-galactose-1-phosphate[c] + H+[c] 1000 7.22E-11 Galactose metabolism +HMR_4132 galactose-1-phosphate[c] + UDP-glucose[c] => glucose-1-phosphate[c] + UDP-galactose[c] 1000 2.83E-11 Galactose metabolism +HMR_4414 ATP[c] + galactose[c] => ADP[c] + galactose-1-phosphate[c] + H+[c] 1000 2.83E-11 Galactose metabolism +HMR_4774 "CDP[c] + H+[c] + tagatose-1,6-bisphosphate[c] <=> CTP[c] + D-tagatose-6-phosphate[c]" 2000 0.224510243 Galactose metabolism +HMR_4775 "D-tagatose-6-phosphate[c] + ITP[c] <=> H+[c] + IDP[c] + tagatose-1,6-bisphosphate[c]" 2000 0.224510243 Galactose metabolism +HMR_8767 alpha-D-galactose-1-phosphate[c] + H+[c] + UTP[c] => PPi[c] + UDP-galactose[c] 1000 0.003966261 Galactose metabolism +HMR_4297 "ATP[c] + fructose-6-phosphate[c] => ADP[c] + fructose-2,6-bisphosphate[c] + H+[c]" 1000 0.000110938 Fructose and mannose metabolism +HMR_4316 D-glucitol[c] + NADP+[c] <=> glucose[c] + H+[c] + NADPH[c] 1000 0.004037623 Fructose and mannose metabolism +HMR_4319 ATP[c] + fructose[c] => ADP[c] + fructose-6-phosphate[c] + H+[c] 1000 0.00387098 Fructose and mannose metabolism +HMR_4706 "fructose-2,6-bisphosphate[c] + H2O[c] => fructose-6-phosphate[c] + Pi[c]" 1000 0.000110938 Fructose and mannose metabolism +HMR_4590 H+[c] + L-xylulose[c] + NADPH[c] => NADP+[c] + xylitol[c] 1000 0.003462272 Pentose and glucuronate interconversions +HMR_4591 NAD+[c] + xylitol[c] => H+[c] + L-xylulose[c] + NADH[c] 1000 0.003462272 Pentose and glucuronate interconversions +HMR_8729 H2O[c] + UDP-glucuronate[c] => glucuronate[c] + H+[c] + UDP[c] 3.17E-07 3.17E-07 Pentose and glucuronate interconversions +HMR_1568 acetaldehyde[c] + H2O[c] + NAD+[c] => acetate[c] + 2 H+[c] + NADH[c] 1000 0.000166387 Pyruvate metabolism +HMR_3853 GSH[c] + methylglyoxal[c] => (R)-S-lactoylglutathione[c] 1000 0.00079195 Pyruvate metabolism +HMR_3854 H+[c] + methylglyoxal[c] + NADH[c] => lactaldehyde[c] + NAD+[c] 1000 0.000788872 Pyruvate metabolism +HMR_3855 "H+[c] + lactaldehyde[c] + NADPH[c] => NADP+[c] + propane-1,2-diol[c]" 1000 0.270559661 Pyruvate metabolism +HMR_3857 (R)-S-lactoylglutathione[c] + H2O[c] => D-lactate[c] + GSH[c] + H+[c] 1000 0.000791943 Pyruvate metabolism +HMR_3859 D-lactate[c] + 2 ferricytochrome C[m] => 2 ferrocytochrome C[m] + 2 H+[c] + pyruvate[c] 1000 0.001462967 Pyruvate metabolism +HMR_4087 malate[m] + NAD+[m] => CO2[m] + NADH[m] + pyruvate[m] 1000 0.047173395 Pyruvate metabolism +HMR_4089 malate[c] + NADP+[c] => CO2[c] + NADPH[c] + pyruvate[c] 1000 0.143552932 Pyruvate metabolism +HMR_4091 malate[m] + NADP+[m] => CO2[m] + NADPH[m] + pyruvate[m] 1000 0.052279982 Pyruvate metabolism +HMR_4103 GTP[m] + OAA[m] => CO2[m] + GDP[m] + PEP[m] 1000 0.047670496 Pyruvate metabolism +HMR_4143 ATP[m] + HCO3-[m] + pyruvate[m] => ADP[m] + H+[m] + OAA[m] + Pi[m] 1000 0.000121411 Pyruvate metabolism +HMR_4193 CDP[c] + H+[c] + PEP[c] => CTP[c] + pyruvate[c] 1000 0.778418979 Pyruvate metabolism +HMR_8497 H+[c] + methylglyoxal[c] + NADPH[c] => hydroxyacetone[c] + NADP+[c] 1000 0.00078712 Pyruvate metabolism +HMR_8500 "H+[c] + hydroxyacetone[c] + NADPH[c] => NADP+[c] + propane-1,2-diol[c]" 1000 0.00078712 Pyruvate metabolism +HMR_8501 H+[c] + methylglyoxal[c] + NADPH[c] => D-lactaldehyde[c] + NADP+[c] 1000 0.000787527 Pyruvate metabolism +HMR_8502 (R)-S-lactoylglutathione[c] + H+[c] + NADH[c] <=> D-lactaldehyde[c] + GSH[c] + NAD+[c] 2000 0.001570767 Pyruvate metabolism +HMR_8503 H2O[c] + lactaldehyde[c] + NAD+[c] => 2 H+[c] + L-lactate[c] + NADH[c] 1000 0.000781566 Pyruvate metabolism +HMR_8504 D-lactaldehyde[c] + H2O[c] + NAD+[c] => D-lactate[c] + 2 H+[c] + NADH[c] 1000 0.000659005 Pyruvate metabolism +HMR_8506 H2O[m] + lactaldehyde[m] + NAD+[m] => 2 H+[m] + L-lactate[m] + NADH[m] 1000 0.000662394 Pyruvate metabolism +HMR_8507 "NAD+[c] + propane-1,2-diol[c] => D-lactaldehyde[c] + H+[c] + NADH[c]" 1000 0.248307414 Pyruvate metabolism +HMR_8508 "NAD+[c] + propane-1,2-diol[c] => H+[c] + lactaldehyde[c] + NADH[c]" 1000 0.270559444 Pyruvate metabolism +HMR_8509 "D-lactaldehyde[c] + H+[c] + NADPH[c] => NADP+[c] + propane-1,2-diol[c]" 1000 0.248307416 Pyruvate metabolism +HMR_8511 (R)-S-lactoylglutathione[m] + H2O[m] => D-lactate[m] + GSH[m] + H+[m] 1000 0.000788146 Pyruvate metabolism +HMR_8514 2 ferricytochrome C[m] + L-lactate[c] => 2 ferrocytochrome C[m] + 2 H+[c] + pyruvate[c] 1000 0.000223039 Pyruvate metabolism +HMR_8516 DHAP[c] => methylglyoxal[c] + Pi[c] 1000 0.00079195 Pyruvate metabolism +HMR_4280 H+[m] + NADH[m] + pyruvate[m] <=> L-lactate[m] + NAD+[m] 2000 0.14056807 Pyruvate metabolism +HMR_0153 ATP[c] + CoA[c] + propanoate[c] => AMP[c] + PPi[c] + propanoyl-CoA[c] 1000 0.000828194 Propanoate metabolism +HMR_3212 FAD[m] + propanoyl-CoA[m] => acrylyl-CoA[m] + FADH2[m] 1000 0.001800696 Propanoate metabolism +HMR_3797 AMP[m] + PPi[m] + propanoyl-CoA[m] <=> ATP[m] + CoA[m] + propanoate[m] 2000 0.160679398 Propanoate metabolism +HMR_3800 2-oxobutyrate[m] + CoA[m] + NAD+[m] => CO2[m] + NADH[m] + propanoyl-CoA[m] 1000 0.001800711 Propanoate metabolism +HMR_4105 H+[c] + malonyl-CoA[c] => acetyl-CoA[c] + CO2[c] 999.9991656 0.001009393 Propanoate metabolism +HMR_4106 H+[m] + malonyl-CoA[m] => acetyl-CoA[m] + CO2[m] 1000 0.001076203 Propanoate metabolism +HMR_4282 3-oxopropanoate[m] + CoA[m] + NAD+[m] => acetyl-CoA[m] + CO2[m] + NADH[m] 1000 0.001800696 Propanoate metabolism +HMR_4331 AMP[c] + H+[c] + propanoyl-CoA[c] <=> CoA[c] + propinol adenylate[c] 1000 0.000819811 Propanoate metabolism +HMR_4459 ATP[c] + H+[c] + propanoate[c] => PPi[c] + propinol adenylate[c] 1000 0.000819811 Propanoate metabolism +HMR_4460 ATP[m] + H+[m] + propanoate[m] <=> PPi[m] + propinol adenylate[m] 2000 0.160679403 Propanoate metabolism +HMR_4497 hydracrylate[m] + NAD+[m] => 3-oxopropanoate[m] + H+[m] + NADH[m] 1000 0.001800696 Propanoate metabolism +HMR_4741 3-hydroxypropionyl-CoA[m] + H2O[m] => CoA[m] + H+[m] + hydracrylate[m] 1000 0.001800696 Propanoate metabolism +HMR_1436 acetoacetate[c] + ATP[c] + CoA[c] => acetoacetyl-CoA[c] + AMP[c] + PPi[c] 499.9980271 0.002736955 Butanoate metabolism +HMR_3163 butyryl-CoA[m] + FAD[m] => crotonyl-CoA[m] + FADH2[m] 525.7907772 5.31E-05 Butanoate metabolism +HMR_5351 2-hydroxybutyrate[c] + NAD+[c] <=> 2-oxobutyrate[c] + H+[c] + NADH[c] 1000 0.262418628 Butanoate metabolism +HMR_4052 ATP[c] + ribose-5-phosphate[c] => AMP[c] + H+[c] + PRPP[c] 1000 0.000847787 Pentose phosphate pathway +HMR_4304 "glucose-6-phosphate[r] + NADP+[r] => glucono-1,5-lactone-6-phosphate[r] + H+[r] + NADPH[r]" 79.19577322 1.82E-06 Pentose phosphate pathway +HMR_4354 ribose-1-phosphate[c] <=> ribose-5-phosphate[c] 2000 0.002117956 Pentose phosphate pathway +HMR_4474 6-phospho-D-gluconate[c] + NADP+[c] => CO2[c] + NADPH[c] + ribulose-5-phosphate[c] 1000 0.005937114 Pentose phosphate pathway +HMR_4567 "ADP[c] + H+[c] + sedoheptulose-1,7-bisphosphate[c] <=> ATP[c] + sedoheptulose-7-phosphate[c]" 2000 0.368181428 Pentose phosphate pathway +HMR_4568 "H+[c] + sedoheptulose-1,7-bisphosphate[c] + UDP[c] <=> sedoheptulose-7-phosphate[c] + UTP[c]" 2000 0.365292914 Pentose phosphate pathway +HMR_4625 "glucono-1,5-lactone-6-phosphate[c] + H2O[c] => 6-phospho-D-gluconate[c] + H+[c]" 1000 0.005930085 Pentose phosphate pathway +HMR_4710 2-deoxy-D-ribose-1-phosphate[c] <=> 2-deoxy-D-ribose-5-phosphate[c] 2000 0.001698647 Pentose phosphate pathway +HMR_8074 ATP[c] + deoxyribose[c] => 2-deoxy-D-ribose-5-phosphate[c] + ADP[c] + H+[c] 1000 0.00153226 Pentose phosphate pathway +HMR_8653 "glucono-1,5-lactone-6-phosphate[r] + H+[r] + NADH[r] <=> glucose-6-phosphate[r] + NAD+[r]" 79.19577322 3.30E-06 Pentose phosphate pathway +HMR_3998 ADP[c] + H2O[c] => AMP[c] + H+[c] + Pi[c] 1000 0.001671739 Purine metabolism +HMR_4000 ATP[c] => cAMP[c] + PPi[c] 1000 0.000795413 Purine metabolism +HMR_4002 2 ADP[c] <=> AMP[c] + ATP[c] 2000 1.002526335 Purine metabolism +HMR_4004 2 ADP[m] <=> AMP[m] + ATP[m] 2000 0.356832038 Purine metabolism +HMR_4010 AMP[c] + H2O[c] => adenosine[c] + Pi[c] 1000 0.000610982 Purine metabolism +HMR_4081 AMP[s] + H2O[s] => adenosine[s] + Pi[s] 1000 0.000372913 Purine metabolism +HMR_4082 AMP[m] + H2O[m] => adenosine[m] + Pi[m] 1000 0.000554814 Purine metabolism +HMR_4012 adenosine[c] + ATP[c] => ADP[c] + AMP[c] + H+[c] 1000 0.000536507 Purine metabolism +HMR_4014 cAMP[c] + H2O[c] => AMP[c] + H+[c] 1000 0.000795413 Purine metabolism +HMR_4022 GTP[c] => cGMP[c] + PPi[c] 999.9996922 0.000793181 Purine metabolism +HMR_4040 H2O[c] + IMP[c] + NAD+[c] => H+[c] + NADH[c] + xanthosine-5-phosphate[c] 999.999651 0.000289674 Purine metabolism +HMR_4042 aspartate[c] + GTP[c] + IMP[c] => adenylosuccinate[c] + GDP[c] + 2 H+[c] + Pi[c] 999.6553799 0.000789436 Purine metabolism +HMR_4046 ATP[c] + glutamine[c] + H2O[c] + xanthosine-5-phosphate[c] => AMP[c] + glutamate[c] + GMP[c] + 2 H+[c] + PPi[c] 1000 0.000436615 Purine metabolism +HMR_4048 cGMP[c] + H2O[c] => GMP[c] + H+[c] 999.9996922 0.000793181 Purine metabolism +HMR_4080 AMP[c] + H2O[c] => IMP[c] + NH3[c] 999.6553799 0.000789436 Purine metabolism +HMR_4168 GTP[c] + H2O[c] => GMP[c] + H+[c] + PPi[c] 999.9996922 0.000833411 Purine metabolism +HMR_4171 GDP[c] + H+[c] + PEP[c] => GTP[c] + pyruvate[c] 1000 0.150330183 Purine metabolism +HMR_4406 glutamine[c] + H2O[c] + PRPP[c] => 5-phosphoribosylamine[c] + glutamate[c] + PPi[c] 666.1117224 1.11E-05 Purine metabolism +HMR_4412 AMP[c] + fumarate[c] <=> adenylosuccinate[c] 999.6553799 0.000789458 Purine metabolism +HMR_4417 H2O[c] + IMP[c] => inosine[c] + Pi[c] 1000 0.000469314 Purine metabolism +HMR_4419 GMP[c] + H+[c] + NADPH[c] => IMP[c] + NADP+[c] + NH3[c] 999.999651 0.000252667 Purine metabolism +HMR_4421 dADP[c] + H+[c] + PEP[c] => dATP[c] + pyruvate[c] 1000 1.405582012 Purine metabolism +HMR_4449 GMP[c] + H2O[c] => guanosine[c] + Pi[c] 1000 0.000476412 Purine metabolism +HMR_4451 ADP[m] + GMP[m] + H+[m] => ATP[m] + guanosine[m] 1000 0.000105678 Purine metabolism +HMR_4453 ATP[c] + NH3[c] + xanthosine-5-phosphate[c] => AMP[c] + GMP[c] + H+[c] + PPi[c] 1000 0.000638667 Purine metabolism +HMR_4480 ADP[c] + dADP[c] <=> ATP[c] + dAMP[c] 1999.999897 0.000247509 Purine metabolism +HMR_4481 adenosine[c] + H2O[c] => inosine[c] + NH3[c] 999.6553799 0.000293887 Purine metabolism +HMR_4482 adenosine[s] + H2O[s] => inosine[s] + NH3[s] 999.6553799 0.000293887 Purine metabolism +HMR_4486 glucose[c] + ITP[c] => glucose-6-phosphate[c] + H+[c] + IDP[c] 1000 0.098317827 Purine metabolism +HMR_4487 dATP[c] + glucose[c] => dADP[c] + glucose-6-phosphate[c] + H+[c] 1000 0.112502379 Purine metabolism +HMR_4488 fructose[c] + ITP[c] => fructose-6-phosphate[c] + H+[c] + IDP[c] 1000 0.004016825 Purine metabolism +HMR_4489 dATP[c] + fructose[c] => dADP[c] + fructose-6-phosphate[c] + H+[c] 1000 0.004037623 Purine metabolism +HMR_4573 dGDP[c] + H+[c] + PEP[c] => dGTP[c] + pyruvate[c] 1000 1.40556159 Purine metabolism +HMR_4600 ATP[c] + deoxyguanosine[c] => ADP[c] + dGMP[c] + H+[c] 1000 0.001335254 Purine metabolism +HMR_4602 dGMP[c] + H2O[c] => deoxyguanosine[c] + Pi[c] 1000 0.00129441 Purine metabolism +HMR_4603 2-deoxy-D-ribose-1-phosphate[c] + guanine[c] <=> deoxyguanosine[c] + Pi[c] 1999.999651 0.000401618 Purine metabolism +HMR_4611 ATP[c] + thioredoxin[c] => dATP[c] + H2O[c] + oxidized thioredoxin[c] 999.9999584 8.41E-05 Purine metabolism +HMR_4612 ADP[c] + thioredoxin[c] => dADP[c] + H2O[c] + oxidized thioredoxin[c] 999.9999584 8.41E-05 Purine metabolism +HMR_4614 GTP[c] + thioredoxin[c] => dGTP[c] + H2O[c] + oxidized thioredoxin[c] 999.9996922 7.17E-05 Purine metabolism +HMR_4615 GDP[c] + thioredoxin[c] => dGDP[c] + H2O[c] + oxidized thioredoxin[c] 999.9996922 7.17E-05 Purine metabolism +HMR_4617 CTP[c] + thioredoxin[c] => dCTP[c] + H2O[c] + oxidized thioredoxin[c] 1000 0.000112776 Purine metabolism +HMR_4618 thioredoxin[c] + UTP[c] => dUTP[c] + H2O[c] + oxidized thioredoxin[c] 999.9999584 7.43E-05 Purine metabolism +HMR_4619 CDP[c] + thioredoxin[c] => dCDP[c] + H2O[c] + oxidized thioredoxin[c] 1000 0.000112775 Purine metabolism +HMR_4621 thioredoxin[c] + UDP[c] => dUDP[c] + H2O[c] + oxidized thioredoxin[c] 999.9999584 7.43E-05 Purine metabolism +HMR_4632 dAMP[c] + H2O[c] => deoxyadenosine[c] + Pi[c] 1000 0.001669915 Purine metabolism +HMR_4664 PRPP[c] + xanthine[c] => PPi[c] + xanthosine-5-phosphate[c] 1000 0.000426011 Purine metabolism +HMR_4694 deoxyadenosine[c] + H2O[c] => deoxyinosine[c] + NH3[c] 999.6553799 0.000269763 Purine metabolism +HMR_4695 2-deoxy-D-ribose-1-phosphate[c] + adenine[c] <=> deoxyadenosine[c] + Pi[c] 1999.999897 0.000415683 Purine metabolism +HMR_4705 H2O[c] + xanthosine-5-phosphate[c] => Pi[c] + xanthosine[c] 1000 0.000426011 Purine metabolism +HMR_4709 2-deoxy-D-ribose-1-phosphate[c] + hypoxanthine[c] <=> deoxyinosine[c] + Pi[c] 1999.65538 0.103665566 Purine metabolism +HMR_4799 5-phosphoribosylamine[c] + ATP[c] + glycine[c] => ADP[c] + GAR[c] + H+[c] + Pi[c] 666.1117224 1.11E-05 Purine metabolism +HMR_4802 5-phosphoribosylformylglycinamidine[c] + ATP[c] => ADP[c] + AIR[c] + 2 H+[c] + Pi[c] 666.1117224 1.11E-05 Purine metabolism +HMR_4808 ATP[c] + glutamine[c] + H2O[c] + N-formyl-GAR[c] => 5-phosphoribosylformylglycinamidine[c] + ADP[c] + glutamate[c] + H+[c] + Pi[c] 666.1117224 1.11E-05 Purine metabolism +HMR_4810 5-phosphoribosyl-4-carboxy-5-aminoimidazole[c] + aspartate[c] + ATP[c] => ADP[c] + H+[c] + Pi[c] + SAICAR[c] 666.1117224 1.11E-05 Purine metabolism +HMR_4812 AICAR[c] + fumarate[c] <=> SAICAR[c] 666.1117224 1.11E-05 Purine metabolism +HMR_5301 GTP[c] + uridine[c] => GDP[c] + H+[c] + UMP[c] 1000 0.002076633 Purine metabolism +HMR_7144 ADP-ribose[c] + H2O[c] => AMP[c] + 2 H+[c] + ribose-5-phosphate[c] 999.9998959 0.000262894 Purine metabolism +HMR_4016 ADP[c] + GTP[c] <=> ATP[c] + GDP[c] 2000 0.426458118 Purine metabolism +HMR_4018 ADP[m] + GTP[m] <=> ATP[m] + GDP[m] 2000 0.373109924 Purine metabolism +HMR_4044 ADP[c] + dATP[c] <=> ATP[c] + dADP[c] 2000 2.184954445 Purine metabolism +HMR_4291 ADP[c] + ITP[c] <=> ATP[c] + IDP[c] 2000 0.225737289 Purine metabolism +HMR_4420 ADP[m] + dATP[m] => ATP[m] + dADP[m] 1000 1.405163245 Purine metabolism +HMR_4570 ADP[c] + dGTP[c] <=> ATP[c] + dGDP[c] 2000 2.184954444 Purine metabolism +HMR_4572 ADP[m] + dGTP[m] => ATP[m] + dGDP[m] 1000 1.405163246 Purine metabolism +HMR_4006 ADP[c] + UTP[c] <=> ATP[c] + UDP[c] 2000 1.768276936 Pyrimidine metabolism +HMR_4028 ADP[c] + CTP[c] <=> ATP[c] + CDP[c] 2000 0.978302566 Pyrimidine metabolism +HMR_4030 ADP[m] + CTP[m] <=> ATP[m] + CDP[m] 110.7025932 1.87E-05 Pyrimidine metabolism +HMR_4670 ADP[c] + dCTP[c] <=> ATP[c] + dCDP[c] 2000 1.03446691 Pyrimidine metabolism +HMR_4673 ADP[c] + dUTP[c] <=> ATP[c] + dUDP[c] 1999.999958 0.002150961 Pyrimidine metabolism +HMR_4675 ATP[m] + dUDP[m] => ADP[m] + dUTP[m] 1000 0.000862763 Pyrimidine metabolism +HMR_6614 dADP[c] + dTTP[c] <=> dATP[c] + dTDP[c] 2000 1.25981211 Pyrimidine metabolism +HMR_6615 dADP[m] + dTTP[m] <=> dATP[m] + dTDP[m] 2000 1.259450149 Pyrimidine metabolism +HMR_6616 dADP[n] + dTTP[n] <=> dATP[n] + dTDP[n] 2000 0.089876065 Pyrimidine metabolism +HMR_4635 ADP[c] + dTTP[c] <=> ATP[c] + dTDP[c] 2000 1.451416126 Pyrimidine metabolism +HMR_3931 H+[c] + NADPH[c] + oxidized thioredoxin[c] => NADP+[c] + thioredoxin[c] 999.9999584 0.000142877 Pyrimidine metabolism +HMR_3969 ITP[c] + uridine[c] => H+[c] + IDP[c] + UMP[c] 1000 0.002076633 Pyrimidine metabolism +HMR_3970 H2O[c] + UMP[c] => Pi[c] + uridine[c] 1000 0.001338417 Pyrimidine metabolism +HMR_4032 ATP[c] + NH3[c] + UTP[c] => ADP[c] + CTP[c] + H+[c] + Pi[c] 1000 0.00099675 Pyrimidine metabolism +HMR_4034 2 ATP[c] + glutamine[c] + H2O[c] + HCO3-[c] => 2 ADP[c] + carbamoyl-phosphate[c] + glutamate[c] + 2 H+[c] + Pi[c] 999.5383884 0.000253539 Pyrimidine metabolism +HMR_4036 H+[c] + orotidine-5-phosphate[c] => CO2[c] + UMP[c] 999.5383884 0.000253539 Pyrimidine metabolism +HMR_4056 dTMP[c] + H2O[c] => Pi[c] + thymidine[c] 1000 0.001671828 Pyrimidine metabolism +HMR_4060 H2O[s] + UDP[s] => H+[s] + Pi[s] + UMP[s] 1000 0.000512944 Pyrimidine metabolism +HMR_4127 H2O[c] + UDP-glucose[c] => glucose-1-phosphate[c] + 2 H+[c] + UMP[c] 1000 0.000823994 Pyrimidine metabolism +HMR_4177 CMP[c] + H2O[c] => cytidine[c] + Pi[c] 1000 0.001338417 Pyrimidine metabolism +HMR_4182 cytidine[c] + GTP[c] => CMP[c] + GDP[c] + H+[c] 1000 0.001290704 Pyrimidine metabolism +HMR_4194 ATP[c] + glutamine[c] + H2O[c] + UTP[c] => ADP[c] + CTP[c] + glutamate[c] + 2 H+[c] + Pi[c] 1000 0.00099675 Pyrimidine metabolism +HMR_4210 H+[c] + PEP[c] + UDP[c] => pyruvate[c] + UTP[c] 1000 1.454625652 Pyrimidine metabolism +HMR_4211 H2O[s] + UTP[s] => H+[s] + PPi[s] + UMP[s] 499.6538013 0.000514514 Pyrimidine metabolism +HMR_4343 PRPP[c] + uracil[c] => PPi[c] + UMP[c] 1000 0.000796568 Pyrimidine metabolism +HMR_4484 dTMP[m] + H2O[m] => Pi[m] + thymidine[m] 1000 0.001862294 Pyrimidine metabolism +HMR_4485 2-deoxy-D-ribose-1-phosphate[c] + thymine[c] <=> Pi[c] + thymidine[c] 1000 0.103095868 Pyrimidine metabolism +HMR_4510 dCMP[c] + H2O[c] => deoxycytidine[c] + Pi[c] 1000 0.000536961 Pyrimidine metabolism +HMR_4513 ATP[c] + deoxycytidine[c] => ADP[c] + dCMP[c] + H+[c] 1000 0.000536961 Pyrimidine metabolism +HMR_4514 deoxycytidine[c] + H2O[c] => deoxyuridine[c] + NH3[c] 999.9999584 7.12E-05 Pyrimidine metabolism +HMR_4580 cytidine[c] + H2O[c] => NH3[c] + uridine[c] 1000 0.000678025 Pyrimidine metabolism +HMR_4642 dUMP[c] + H2O[c] => deoxyuridine[c] + Pi[c] 1000 0.001884241 Pyrimidine metabolism +HMR_4643 dUTP[m] + H2O[m] => dUMP[m] + H+[m] + PPi[m] 999.9998959 0.000862763 Pyrimidine metabolism +HMR_4676 cytidine[c] + dUTP[c] => CMP[c] + dUDP[c] + H+[c] 1000 0.001336487 Pyrimidine metabolism +HMR_5299 ATP[c] + uridine[c] => ADP[c] + H+[c] + UMP[c] 1000 0.002079632 Pyrimidine metabolism +HMR_5352 dUTP[c] + uridine[c] => dUDP[c] + H+[c] + UMP[c] 1000 0.002076633 Pyrimidine metabolism +HMR_6621 dUTP[m] + H2O[m] + oxidized thioredoxin[m] <=> thioredoxin[m] + UTP[m] 1000 0.000110869 Pyrimidine metabolism +HMR_6623 deoxyuridine[c] + dGTP[c] => dGDP[c] + dUMP[c] + H+[c] 1000 0.001482172 Pyrimidine metabolism +HMR_6624 deoxyuridine[m] + dGTP[m] => dGDP[m] + dUMP[m] + H+[m] 1000 0.001585959 Pyrimidine metabolism +HMR_8072 2-deoxy-D-ribose-1-phosphate[c] + H2O[c] => deoxyribose[c] + Pi[c] 1000 0.00153226 Pyrimidine metabolism +HMR_3965 dUDP[c] + H2O[c] => dUMP[c] + H+[c] + Pi[c] 1000 0.001462239 Nucleotide metabolism +HMR_3966 ATP[m] + H2O[m] => AMP[m] + H+[m] + PPi[m] 999.9998959 0.000929149 Nucleotide metabolism +HMR_3999 ADP[s] + H2O[s] => AMP[s] + H+[s] + Pi[s] 1000 0.000347132 Nucleotide metabolism +HMR_4054 ATP[c] + thymidine[c] => ADP[c] + dTMP[c] + H+[c] 1000 0.001925366 Nucleotide metabolism +HMR_4061 H2O[s] + UTP[s] => H+[s] + Pi[s] + UDP[s] 1000 0.000512944 Nucleotide metabolism +HMR_4083 adenosine[m] + ATP[m] => ADP[m] + AMP[m] + H+[m] 1000 0.000569553 Nucleotide metabolism +HMR_4180 ATP[c] + cytidine[c] => ADP[c] + CMP[c] + H+[c] 1000 0.001338417 Nucleotide metabolism +HMR_4185 ATP[c] + H+[c] + sulfate[c] => adenylyl sulfate[c] + PPi[c] 1000 0.000327149 Nucleotide metabolism +HMR_4186 adenylyl sulfate[c] + ATP[c] => ADP[c] + H+[c] + PAPS[c] 1000 0.001115285 Nucleotide metabolism +HMR_4483 ATP[m] + thymidine[m] => ADP[m] + dTMP[m] + H+[m] 1000 0.001862294 Nucleotide metabolism +HMR_4507 dCMP[c] + H2O[c] => dUMP[c] + NH3[c] 999.9999584 7.12E-05 Nucleotide metabolism +HMR_4516 dCDP[c] + H2O[c] => dCMP[c] + H+[c] + Pi[c] 1000 0.001580064 Nucleotide metabolism +HMR_4633 ATP[c] + deoxyadenosine[c] => ADP[c] + dAMP[c] + H+[c] 1000 0.001731551 Nucleotide metabolism +HMR_4640 ATP[m] + dUMP[m] => ADP[m] + dUDP[m] 999.9998959 0.000862763 Nucleotide metabolism +HMR_4641 ATP[c] + deoxyuridine[c] => ADP[c] + dUMP[c] + H+[c] 1000 0.001481726 Nucleotide metabolism +HMR_4806 10-formyl-THF[c] + GAR[c] => H+[c] + N-formyl-GAR[c] + THF[c] 666.1117224 1.11E-05 Nucleotide metabolism +HMR_6625 ATP[m] + deoxyuridine[m] => ADP[m] + dUMP[m] + H+[m] 1000 0.001585447 Nucleotide metabolism +HMR_6626 dUMP[m] + H2O[m] => deoxyuridine[m] + Pi[m] 1000 0.001585959 Nucleotide metabolism +HMR_7160 0.3 dATP[c] + 0.2 dCTP[c] + 0.2 dGTP[c] + 0.3 dTTP[c] => DNA[c] + PPi[c] 999.9997958 8.84E-05 Nucleotide metabolism +HMR_7161 0.18 ATP[c] + 0.3 CTP[c] + 0.34 GTP[c] + 0.18 UTP[c] => PPi[c] + RNA[c] 1000 0.000831719 Nucleotide metabolism +HMR_7162 0.18 ADP[c] + 0.3 CDP[c] + 0.34 GDP[c] + 0.18 UDP[c] => Pi[c] + RNA[c] 1000 0.000559838 Nucleotide metabolism +HMR_7163 DNA[c] + H2O[c] => 0.3 dAMP[c] + 0.2 dCMP[c] + 0.2 dGMP[c] + 0.3 dTMP[c] + H+[c] 999.9997958 8.84E-05 Nucleotide metabolism +HMR_7164 H2O[c] + RNA[c] => 0.18 AMP[c] + 0.3 CMP[c] + 0.34 GMP[c] + H+[c] + 0.18 UMP[c] 1000 0.000271881 Nucleotide metabolism +HMR_7713 AMP[l] + H2O[l] => adenosine[l] + Pi[l] 999.9999848 0.000610982 Nucleotide metabolism +HMR_7716 H2O[l] + UMP[l] => Pi[l] + uridine[l] 999.9999848 0.001338417 Nucleotide metabolism +HMR_7717 H2O[m] + UMP[m] => Pi[m] + uridine[m] 1000 0.000110869 Nucleotide metabolism +HMR_7721 CMP[l] + H2O[l] => cytidine[l] + Pi[l] 999.9999848 0.001338417 Nucleotide metabolism +HMR_7725 dTMP[l] + H2O[l] => Pi[l] + thymidine[l] 999.9999848 0.001671828 Nucleotide metabolism +HMR_7728 GMP[l] + H2O[l] => guanosine[l] + Pi[l] 999.9999848 0.000476412 Nucleotide metabolism +HMR_7882 ADP[n] + GTP[n] <=> ATP[n] + GDP[n] 2000 0.257110262 Nucleotide metabolism +HMR_7883 ADP[m] + UTP[m] <=> ATP[m] + UDP[m] 1000 0.000110872 Nucleotide metabolism +HMR_7884 ADP[n] + UTP[n] <=> ATP[n] + UDP[n] 2000 0.441907776 Nucleotide metabolism +HMR_7885 ADP[n] + CTP[n] <=> ATP[n] + CDP[n] 2000 0.39318733 Nucleotide metabolism +HMR_7886 ADP[m] + dTTP[m] <=> ATP[m] + dTDP[m] 2000 1.450984896 Nucleotide metabolism +HMR_7887 ADP[n] + dTTP[n] <=> ATP[n] + dTDP[n] 2000 0.089876081 Nucleotide metabolism +HMR_7888 ADP[n] + dGTP[n] <=> ATP[n] + dGDP[n] 2000 0.441907765 Nucleotide metabolism +HMR_7890 ADP[m] + dCTP[m] <=> ATP[m] + dCDP[m] 1000 0.779792561 Nucleotide metabolism +HMR_7891 ADP[n] + dCTP[n] <=> ATP[n] + dCDP[n] 2000 0.441907777 Nucleotide metabolism +HMR_7892 ADP[n] + dATP[n] <=> ATP[n] + dADP[n] 2000 0.441907776 Nucleotide metabolism +HMR_8473 deoxyadenosine[s] + H2O[s] => deoxyinosine[s] + NH3[s] 999.6553799 0.000269763 Nucleotide metabolism +HMR_8474 ATP[s] + 2 H2O[s] => AMP[s] + 2 H+[s] + 2 Pi[s] 1000 0.000372913 Nucleotide metabolism +HMR_8482 H+[m] + NADPH[m] + oxidized thioredoxin[m] => NADP+[m] + thioredoxin[m] 1000 0.02068716 Nucleotide metabolism +HMR_8487 H2O[s] + UMP[s] => Pi[s] + uridine[s] 1000 0.000514514 Nucleotide metabolism +HMR_3822 1-pyrroline-5-carboxylate[m] + 2 H2O[m] + NAD+[m] => glutamate[m] + H+[m] + NADH[m] 1000 0.003205293 "Alanine, aspartate and glutamate metabolism" +HMR_3831 aspartate[c] => fumarate[c] + H+[c] + NH3[c] 1000 0.100553617 "Alanine, aspartate and glutamate metabolism" +HMR_3870 GSSG[m] + H+[m] + NADPH[m] => 2 GSH[m] + NADP+[m] 942.1410521 0.001957062 "Alanine, aspartate and glutamate metabolism" +HMR_3890 ATP[c] + glutamate[c] + NH3[c] => ADP[c] + glutamine[c] + Pi[c] 1000 0.001681602 "Alanine, aspartate and glutamate metabolism" +HMR_3903 aspartate[c] + ATP[c] + glutamine[c] + H2O[c] => AMP[c] + asparagine[c] + glutamate[c] + H+[c] + PPi[c] 1000 0.000549991 "Alanine, aspartate and glutamate metabolism" +HMR_4114 2-oxoglutaramate[c] + H2O[c] => AKG[c] + H+[c] + NH3[c] 1000 0.019326705 "Alanine, aspartate and glutamate metabolism" +HMR_4118 GSSG[c] + H+[c] + NADPH[c] => 2 GSH[c] + NADP+[c] 999.9960548 0.432355208 "Alanine, aspartate and glutamate metabolism" +HMR_4196 glutamine[c] + pyruvate[c] => 2-oxoglutaramate[c] + alanine[c] 1000 0.019326705 "Alanine, aspartate and glutamate metabolism" +HMR_3816 arginine[c] + H2O[c] => ornithine[c] + urea[c] 999.9979042 1.766584808 Arginine and proline metabolism +HMR_3833 1-pyrroline-5-carboxylate[c] + 2 H+[c] + NADPH[c] => NADP+[c] + proline[c] 1000 0.00449572 Arginine and proline metabolism +HMR_3835 1-pyrroline-5-carboxylate[c] + 2 H+[c] + NADH[c] => NAD+[c] + proline[c] 1000 0.004582927 Arginine and proline metabolism +HMR_3895 ATP[m] + glutamate[m] => ADP[m] + glutamyl-5-phosphate[m] 1000 0.001750357 Arginine and proline metabolism +HMR_3897 glutamyl-5-phosphate[m] + H+[m] + NADPH[m] => L-glutamate 5-semialdehyde[m] + NADP+[m] + Pi[m] 1000 0.001750357 Arginine and proline metabolism +HMR_3956 CO2[m] + H2O[m] => H+[m] + HCO3-[m] 1000 0.001076203 Arginine and proline metabolism +HMR_4212 H+[c] + ornithine[c] => CO2[c] + putrescine[c] 1000 0.087063277 Arginine and proline metabolism +HMR_4422 H+[s] + ornithine[s] => CO2[s] + putrescine[s] 1000 0.087063277 Arginine and proline metabolism +HMR_4606 4-aminobutyrate[c] + ATP[c] + histidine[c] => AMP[c] + 2 H+[c] + homocarnosine[c] + PPi[c] 1000 0.000654541 Arginine and proline metabolism +HMR_4607 H+[c] + H2O[c] + homocarnosine[c] => 4-aminobutyrate[c] + histidine[c] 1000 0.000654541 Arginine and proline metabolism +HMR_4776 AKG[c] + O2[c] + proline[c] => CO2[c] + succinate[c] + trans-4-hydroxy-L-proline[c] 690.1146092 0.00153181 Arginine and proline metabolism +HMR_4784 2 H2O[m] + L-1-pyrroline-3-hydroxy-5-carboxylate[m] + NAD+[m] => H+[m] + L-erythro-4-hydroxyglutamate[m] + NADH[m] 1000 0.003901882 Arginine and proline metabolism +HMR_4785 2 H2O[m] + L-1-pyrroline-3-hydroxy-5-carboxylate[m] + NADP+[m] => H+[m] + L-erythro-4-hydroxyglutamate[m] + NADPH[m] 1000 0.001919664 Arginine and proline metabolism +HMR_0457 ATP[c] + glycerate[c] => 3-phospho-D-glycerate[c] + ADP[c] + H+[c] 1000 0.00049828 "Glycine, serine and threonine metabolism" +HMR_3839 3-phospho-D-glycerate[c] + NAD+[c] <=> 3-phosphonooxypyruvate[c] + H+[c] + NADH[c] 999.9999908 0.001039208 "Glycine, serine and threonine metabolism" +HMR_3843 3-phosphoserine[c] + H2O[c] => Pi[c] + serine[c] 999.9999908 0.001039208 "Glycine, serine and threonine metabolism" +HMR_3856 H+[c] + methylglyoxal[c] + NADH[c] => D-lactaldehyde[c] + NAD+[c] 1000 0.000791913 "Glycine, serine and threonine metabolism" +HMR_3883 serine[c] => H+[c] + NH3[c] + pyruvate[c] 1000 0.268106301 "Glycine, serine and threonine metabolism" +HMR_3939 2-amino-3-oxoadipate[m] + CoA[m] <=> glycine[m] + succinyl-CoA[m] 166.6666667 5.59E-05 "Glycine, serine and threonine metabolism" +HMR_3974 dehydroalanine[c] + H2O[c] => H+[c] + NH3[c] + pyruvate[c] 1000 0.126042546 "Glycine, serine and threonine metabolism" +HMR_4198 pyruvate[c] + serine[c] => alanine[c] + hydroxypyruvate[c] 1000 0.00049828 "Glycine, serine and threonine metabolism" +HMR_4200 serine[c] => dehydroalanine[c] + H2O[c] 1000 0.126042546 "Glycine, serine and threonine metabolism" +HMR_4348 threonine[c] => 2-oxobutyrate[c] + H+[c] + NH3[c] 999.9976724 0.262418769 "Glycine, serine and threonine metabolism" +HMR_4742 glycine[m] + H+[m] + succinyl-CoA[m] => 5-aminolevulinate[m] + CO2[m] + CoA[m] 166.6666667 6.00E-05 "Glycine, serine and threonine metabolism" +HMR_5392 6 ATP[c] + 6 glutamate[c] + THF[c] => 6 ADP[c] + 6 H+[c] + 6 Pi[c] + THF-hexaglutamate[c] 575.4632537 0.000222338 "Glycine, serine and threonine metabolism" +HMR_5393 6 H2O[c] + THF-hexaglutamate[c] => 6 glutamate[c] + THF[c] 575.4632537 0.000222338 "Glycine, serine and threonine metabolism" +HMR_5338 acetyl-CoA[c] + S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-L-cysteine[c] => CoA[c] + H+[c] + N-acetyl-S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-L-cysteine[c] 1000 0.001309614 Histidine metabolism +HMR_5339 H2O[c] + N-acetyl-S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-L-cysteine[c] <=> acetate[c] + S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-L-cysteine[c] 1000 0.001309614 Histidine metabolism +HMR_4239 2-oxoadipate[m] + CoA[m] + NAD+[m] => CO2[m] + glutaryl-CoA[m] + NADH[m] 999.9970537 2.17E-05 Lysine metabolism +HMR_4288 AKG[m] + H+[m] + lysine[m] + NADPH[m] => H2O[m] + NADP+[m] + saccharopine[m] 999.9970537 2.17E-05 Lysine metabolism +HMR_4599 2-oxoadipate[m] + H+[m] + lipoamide[m] => CO2[m] + S-glutaryldihydrolipoamide[m] 999.9970537 2.11E-05 Lysine metabolism +HMR_4667 H2O[m] + NAD+[m] + saccharopine[m] => 2-aminoadipate 6-semialdehyde[m] + glutamate[m] + H+[m] + NADH[m] 999.9970537 2.17E-05 Lysine metabolism +HMR_4739 2-aminoadipate 6-semialdehyde[m] + H2O[m] + NAD+[m] => 2 H+[m] + L-2-aminoadipate[m] + NADH[m] 999.9970537 2.17E-05 Lysine metabolism +HMR_6415 CoA[m] + S-glutaryldihydrolipoamide[m] => dihydrolipoamide[m] + glutaryl-CoA[m] 999.9970537 2.11E-05 Lysine metabolism +HMR_6974 [protein][c] + lysine[c] => [protein]-L-lysine[c] + H2O[c] 333.3333327 4.72E-08 Lysine metabolism +HMR_6975 [protein]-L-lysine[c] + SAM[c] => [protein]-N6-methyl-L-lysine[c] + H+[c] + SAH[c] 333.3333327 4.72E-08 Lysine metabolism +HMR_6976 "[protein]-N6-methyl-L-lysine[c] + SAM[c] => [protein]-N6,N6-dimethyl-L-lysine[c] + H+[c] + SAH[c]" 333.3333327 4.69E-08 Lysine metabolism +HMR_6977 "[protein]-N6,N6-dimethyl-L-lysine[c] + SAM[c] => [protein]-N6,N6,N6-trimethyl-L-lysine[c] + H+[c] + SAH[c]" 333.3333327 4.71E-08 Lysine metabolism +HMR_6978 "[protein]-N6,N6,N6-trimethyl-L-lysine[c] + H2O[c] => [protein][c] + H+[c] + N6,N6,N6-trimethyl-L-lysine[c]" 333.3333327 4.72E-08 Lysine metabolism +HMR_6979 "AKG[c] + N6,N6,N6-trimethyl-L-lysine[c] + O2[c] => 3-hydroxy-N6,N6,N6-trimethyl-L-lysine[c] + CO2[c] + succinate[c]" 333.3333327 4.72E-08 Lysine metabolism +HMR_6980 "3-hydroxy-N6,N6,N6-trimethyl-L-lysine[c] + H+[c] => 4-trimethylammoniobutanal[c] + glycine[c]" 333.3333327 4.72E-08 Lysine metabolism +HMR_6981 4-trimethylammoniobutanal[c] + H2O[c] + NAD+[c] => gamma-butyrobetaine[c] + 2 H+[c] + NADH[c] 333.3333327 4.72E-08 Lysine metabolism +HMR_6982 AKG[c] + gamma-butyrobetaine[c] + O2[c] => CO2[c] + L-carnitine[c] + succinate[c] 333.3333327 4.72E-08 Lysine metabolism +HMR_3164 crotonyl-CoA[m] + H2O[m] => (S)-3-hydroxybutyryl-CoA[m] 999.9999992 5.31E-05 Tryptophan metabolism +HMR_3166 (S)-3-hydroxybutyryl-CoA[m] + NAD+[m] => acetoacetyl-CoA[m] + H+[m] + NADH[m] 999.9999992 5.31E-05 Tryptophan metabolism +HMR_8566 H+[c] + melatonin[c] + NADPH[c] + O2[c] => 6-hydroxymelatonin[c] + H2O[c] + NADP+[c] 999.9960542 0.013682132 Tryptophan metabolism +HMR_4683 H2O[c] + NAD+[c] + phenylacetaldehyde[c] => 2 H+[c] + NADH[c] + phenylacetate[c] 1000 0.028372917 Tyrosine metabolism +HMR_4685 H2O[m] + NAD+[m] + phenylacetaldehyde[m] => 2 H+[m] + NADH[m] + phenylacetate[m] 1000 0.029753748 Tyrosine metabolism +HMR_4686 2 H+[c] + NADPH[c] + phenylacetate[c] <=> H2O[c] + NADP+[c] + phenylacetaldehyde[c] 1000 0.028372918 Tyrosine metabolism +HMR_4687 2 H+[m] + NADPH[m] + phenylacetate[m] <=> H2O[m] + NADP+[m] + phenylacetaldehyde[m] 1000 0.029753748 Tyrosine metabolism +HMR_8530 formaldehyde[c] + GSH[c] + NAD+[c] <=> formylglutathione[c] + H+[c] + NADH[c] 2000 0.000444895 Tyrosine metabolism +HMR_8534 "PAPS[c] + triiodothyronine[c] => 3,5,3-triiodothyronine-4-sulfate[c] + H+[c] + PAP[c]" 1000 1.02E-07 Tyrosine metabolism +HMR_3208 ATP[m] + HCO3-[m] + propanoyl-CoA[m] => ADP[m] + H+[m] + methylmalonyl-CoA[m] + Pi[m] 1000 0.000592308 "Valine, leucine, and isoleucine metabolism" +HMR_3211 propanoyl-CoA[m] + ubiquinone[m] => acrylyl-CoA[m] + ubiquinol[m] 1000 0.001689843 "Valine, leucine, and isoleucine metabolism" +HMR_3213 methylmalonyl-CoA[m] => (R)-methylmalonyl-CoA[m] 1000 0.000490675 "Valine, leucine, and isoleucine metabolism" +HMR_3215 (R)-methylmalonyl-CoA[m] => succinyl-CoA[m] 1000 0.000490675 "Valine, leucine, and isoleucine metabolism" +HMR_8787 H+[m] + methylmalonyl-CoA[m] => CO2[m] + propanoyl-CoA[m] 1000 0.000592308 "Valine, leucine, and isoleucine metabolism" +HMR_4214 O2[c] + tryptophan[c] => L-formylkynurenine[c] 999.9960542 0.022806107 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_4216 H2O[c] + L-formylkynurenine[c] => formate[c] + H+[c] + kynurenine[c] 999.9960542 0.022806107 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_4242 glutaryl-CoA[m] + H+[m] + ubiquinone[m] => CO2[m] + crotonyl-CoA[m] + ubiquinol[m] 999.9970537 2.17E-05 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_4243 FAD[m] + glutaryl-CoA[m] + H+[m] => CO2[m] + crotonyl-CoA[m] + FADH2[m] 999.9970537 2.17E-05 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6725 AKG[c] + phenylalanine[c] <=> glutamate[c] + phenylpyruvate[c] 999.9984418 0.077277121 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6726 O2[c] + phenylpyruvate[c] => 2-hydroxyphenylacetate[c] + CO2[c] 999.9960542 0.002846719 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6768 AKG[c] + tyrosine[c] => 4-hydroxyphenylpyruvate[c] + glutamate[c] 499.9980271 0.002762921 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6770 H2O[c] + O2[c] + tyrosine[c] => 4-hydroxyphenylpyruvate[c] + H+[c] + H2O2[c] + NH3[c] 399.9984217 0.002567694 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6772 4-hydroxyphenylpyruvate[c] + O2[c] => CO2[c] + homogentisate[c] 499.9980271 0.002762921 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6774 homogentisate[c] + O2[c] => 4-maleylacetoacetate[c] + H+[c] 499.9980271 0.002762921 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6776 4-maleylacetoacetate[c] => fumarylacetoacetate[c] 499.9980271 0.002762921 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6778 fumarylacetoacetate[c] + H2O[c] => acetoacetate[c] + fumarate[c] + H+[c] 499.9980271 0.002762921 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6829 "3,3-diiodo-L-thyronine[c] + PAPS[c] => 3,3-diiodo-L-thyronine-4-O-sulfate[c] + H+[c] + PAP[c]" 1000 0.000327149 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6831 "3,3-diiodo-L-thyronine-4-O-sulfate[c] + H2O[c] => 3,3-diiodo-L-thyronine[c] + H+[c] + sulfate[c]" 1000 0.000327149 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6838 "PAPS[c] + reverse triiodthyronine[c] => 3,5,3-triiodothyronine-4-sulfate[c] + H+[c] + PAP[c]" 1000 0.00027477 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6839 "3,5,3-triiodothyronine-4-sulfate[c] + H2O[c] => H+[c] + reverse triiodthyronine[c] + sulfate[c]" 1000 0.00027477 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6844 "3,5-diiodo-L-thyronine[c] + PAPS[c] => 3,5-diiodo-L-thyronine-4-O-sulfate[c] + H+[c] + PAP[c]" 1000 0.00027477 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6845 "3,5-diiodo-L-thyronine-4-O-sulfate[c] + H2O[c] => 3,5-diiodo-L-thyronine[c] + H+[c] + sulfate[c]" 1000 0.00027477 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6850 3-monoiodo-L-thyronine[c] + PAPS[c] => 3-monoiodo-L-thyronine-4-O-sulfate[c] + H+[c] + PAP[c] 1000 0.00027477 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_6851 3-monoiodo-L-thyronine-4-O-sulfate[c] + H2O[c] => 3-monoiodo-L-thyronine[c] + H+[c] + sulfate[c] 1000 0.00027477 "Phenylalanine, tyrosine and tryptophan biosynthesis" +HMR_3875 ATP[c] + H2O[c] + methionine[c] => Pi[c] + PPi[c] + SAM[c] 999.9999981 1.41E-07 Cysteine and methionine metabolism +HMR_3877 H2O[c] + SAH[c] => adenosine[c] + homocysteine[c] 999.9999981 1.41E-07 Cysteine and methionine metabolism +HMR_3879 homocysteine[c] + serine[c] => H2O[c] + L-cystathionine[c] 999.99908 2.04E-06 Cysteine and methionine metabolism +HMR_3881 H2O[c] + L-cystathionine[c] => 2-oxobutyrate[c] + cysteine[c] + H+[c] + NH3[c] 999.99908 2.04E-06 Cysteine and methionine metabolism +HMR_3917 5-methyl-THF[c] + homocysteine[c] => H+[c] + methionine[c] + THF[c] 1000 2.04E-06 Cysteine and methionine metabolism +HMR_4189 H2O[m] + O2[m] + sulfite[m] => H2O2[m] + sulfate[m] 999.9999584 0.000142877 Cysteine and methionine metabolism +HMR_4302 cysteine[c] + H2O[c] => 2 H+[c] + H2S[c] + NH3[c] + pyruvate[c] 1000 0.008071091 Cysteine and methionine metabolism +HMR_4323 H+[c] + H2S[c] + serine[c] => cysteine[c] + H2O[c] 1000 0.008071091 Cysteine and methionine metabolism +HMR_5381 PAPS[c] + thioredoxin[c] => 2 H+[c] + oxidized thioredoxin[c] + PAP[c] + sulfite[c] 999.9999584 0.000142877 Cysteine and methionine metabolism +HMR_3868 GSSG[c] + H+[c] + NADH[c] => 2 GSH[c] + NAD+[c] 999.9960548 0.431772384 Glutathione metabolism +HMR_3869 GSSG[m] + H+[m] + NADH[m] => 2 GSH[m] + NAD+[m] 942.1410521 0.001956043 Glutathione metabolism +HMR_3889 5-oxoproline[c] + ATP[c] + 2 H2O[c] => ADP[c] + glutamate[c] + H+[c] + Pi[c] 999.9999331 4.78E-05 Glutathione metabolism +HMR_4116 2 GSH[c] + H2O2[c] => GSSG[c] + 2 H2O[c] 999.9960548 0.432716474 Glutathione metabolism +HMR_4121 2 GSH[m] + H2O2[m] => GSSG[m] + 2 H2O[m] 942.1410521 0.001957062 Glutathione metabolism +HMR_4175 GSH[c] + H2O[c] => cys-gly[c] + glutamate[c] 999.9999331 0.000684296 Glutathione metabolism +HMR_4176 GSH[s] + H2O[s] => cys-gly[s] + glutamate[s] 999.9999331 0.000687119 Glutathione metabolism +HMR_4324 ATP[c] + cysteine[c] + glutamate[c] => ADP[c] + gamma-glutamyl-cysteine[c] + H+[c] + Pi[c] 999.9999331 0.000687538 Glutathione metabolism +HMR_4326 ATP[c] + gamma-glutamyl-cysteine[c] + glycine[c] => ADP[c] + GSH[c] + H+[c] + Pi[c] 999.9999331 0.000687538 Glutathione metabolism +HMR_4328 cys-gly[c] + H2O[c] => cysteine[c] + glycine[c] 999.9999331 0.000684296 Glutathione metabolism +HMR_4329 cys-gly[s] + H2O[s] => cysteine[s] + glycine[s] 999.9999331 0.000684296 Glutathione metabolism +HMR_4708 gamma-glutamyl-cysteine[c] => 5-oxoproline[c] + cysteine[c] 999.9999331 4.78E-05 Glutathione metabolism +HMR_8769 alanine[c] + GSH[c] => (5-L-glutamyl)-L-amino acid[s] + cys-gly[s] 999.9999331 0.000687119 Glutathione metabolism +HMR_8770 (5-L-glutamyl)-L-amino acid[s] => 5-oxoproline[c] + alanine[c] 999.9999331 4.63E-05 Glutathione metabolism +HMR_3751 isobutyryl-CoA[m] + ubiquinone[m] => methacrylyl-CoA[m] + ubiquinol[m] 1000 0.026700436 "Valine, leucine, and isoleucine metabolism" +HMR_3783 2-methylbutyryl-CoA[m] + ubiquinone[m] <=> tiglyl-CoA[m] + ubiquinol[m] 2000 0.050940252 "Valine, leucine, and isoleucine metabolism" +HMR_3796 AMP[m] + H+[m] + propanoyl-CoA[m] <=> CoA[m] + propinol adenylate[m] 2000 0.160679403 "Valine, leucine, and isoleucine metabolism" +HMR_4158 H+[c] + N-acetylglucosamine-1-phosphate[c] + UTP[c] => PPi[c] + UDP-N-acetylglucosamine[c] 999.9998077 0.000384656 Amino sugar and nucleotide sugar metabolism +HMR_4299 glucosamine-6-phosphate[c] + H2O[c] => fructose-6-phosphate[c] + H+[c] + NH3[c] 999.9998077 0.02632943 Amino sugar and nucleotide sugar metabolism +HMR_4300 fructose-6-phosphate[c] + glutamine[c] => glucosamine-6-phosphate[c] + glutamate[c] 999.9998077 0.02632943 Amino sugar and nucleotide sugar metabolism +HMR_4524 ATP[c] + N-acetylglucosamine[c] => ADP[c] + H+[c] + N-acetylglucosamine-6-phosphate[c] 999.9998077 0.000384656 Amino sugar and nucleotide sugar metabolism +HMR_4526 H2O[c] + UDP-N-acetylglucosamine[c] => H+[c] + N-acetyl-D-mannosamine[c] + UDP[c] 999.9998077 0.000384656 Amino sugar and nucleotide sugar metabolism +HMR_4528 ATP[c] + N-acetyl-D-mannosamine[c] => ADP[c] + H+[c] + N-acetylmannosamine-6-phosphate[c] 1000 0.000472547 Amino sugar and nucleotide sugar metabolism +HMR_4529 H2O[c] + N-acetylmannosamine-6-phosphate[c] + PEP[c] => N-acetylneuraminate-9-phosphate[c] + Pi[c] 1000 0.000472547 Amino sugar and nucleotide sugar metabolism +HMR_4530 H2O[c] + N-acetylneuraminate-9-phosphate[c] => N-acetylneuraminate[c] + Pi[c] 1000 0.000472547 Amino sugar and nucleotide sugar metabolism +HMR_4628 acetyl-CoA[c] + glucosamine-6-phosphate[c] => CoA[c] + H+[c] + N-acetylglucosamine-6-phosphate[c] 999.9998077 0.001306101 Amino sugar and nucleotide sugar metabolism +HMR_4629 H2O[c] + N-acetylglucosamine-6-phosphate[c] => acetate[c] + glucosamine-6-phosphate[c] 999.9998077 0.001306101 Amino sugar and nucleotide sugar metabolism +HMR_4631 N-acetylglucosamine-6-phosphate[c] => N-acetylglucosamine-1-phosphate[c] 999.9998077 0.000384656 Amino sugar and nucleotide sugar metabolism +HMR_8377 CTP[c] + N-acetylneuraminate[c] => CMP-N-acetylneuraminate[c] + PPi[c] 1000 0.000684864 Amino sugar and nucleotide sugar metabolism +HMR_5130 ATP[c] + tRNA(tyr)[c] + tyrosine[c] => AMP[c] + L-tyrosyl-tRNA(tyr)[c] + PPi[c] 20.96406901 4.74E-06 Aminoacyl-tRNA biosynthesis +HMR_5131 alanine[c] + ATP[c] + tRNA(ala)[c] => AMP[c] + L-alanyl-tRNA(ala)[c] + PPi[c] 68.88194105 1.56E-05 Aminoacyl-tRNA biosynthesis +HMR_5132 arginine[c] + ATP[c] + tRNA(arg)[c] => AMP[c] + L-arginyl-tRNA(arg)[c] + PPi[c] 50.91273903 1.15E-05 Aminoacyl-tRNA biosynthesis +HMR_5133 asparagine[c] + ATP[c] + tRNA(asn)[c] => AMP[c] + L-asparaginyl-tRNA(asn)[c] + PPi[c] 14.97433501 3.39E-06 Aminoacyl-tRNA biosynthesis +HMR_5134 aspartate[c] + ATP[c] + tRNA(asp)[c] => AMP[c] + L-aspartyl-tRNA(asp)[c] + PPi[c] 47.91787203 1.08E-05 Aminoacyl-tRNA biosynthesis +HMR_5135 ATP[c] + cysteine[c] + tRNA(cys)[c] => AMP[c] + L-cysteinyl-tRNA(cys)[c] + PPi[c] 7.47E-08 7.40E-08 Aminoacyl-tRNA biosynthesis +HMR_5136 ATP[c] + glutamine[c] + tRNA(gln)[c] => AMP[c] + L-glutaminyl-tRNA(gln)[c] + PPi[c] 56.90247304 1.29E-05 Aminoacyl-tRNA biosynthesis +HMR_5137 ATP[c] + glutamate[c] + tRNA(glu)[c] => AMP[c] + L-glutamyl-tRNA(glu)[c] + PPi[c] 89.84601006 2.03E-05 Aminoacyl-tRNA biosynthesis +HMR_5138 ATP[c] + glycine[c] + tRNA(gly)[c] => AMP[c] + glycyl-tRNA(gly)[c] + PPi[c] 32.94353702 7.45E-06 Aminoacyl-tRNA biosynthesis +HMR_5139 ATP[c] + histidine[c] + tRNA(his)[c] => AMP[c] + L-histidyl-tRNA(his)[c] + PPi[c] 17.96920201 4.06E-06 Aminoacyl-tRNA biosynthesis +HMR_5140 ATP[c] + isoleucine[c] + tRNA(ile)[c] => AMP[c] + L-isoleucyl-tRNA(ile)[c] + PPi[c] 1.80E-07 1.80E-07 Aminoacyl-tRNA biosynthesis +HMR_5141 ATP[c] + leucine[c] + tRNA(leu)[c] => AMP[c] + L-leucyl-tRNA(leu)[c] + PPi[c] 122.7895471 2.78E-05 Aminoacyl-tRNA biosynthesis +HMR_5142 ATP[c] + lysine[c] + tRNA(lys)[c] => AMP[c] + L-lysyl-tRNA(lys)[c] + PPi[c] 65.88707404 1.49E-05 Aminoacyl-tRNA biosynthesis +HMR_5143 ATP[c] + methionine[c] + tRNA(met)[c] => AMP[c] + L-methionyl-tRNA(met)[c] + PPi[c] 11.97946801 2.71E-06 Aminoacyl-tRNA biosynthesis +HMR_5145 ATP[c] + phenylalanine[c] + tRNA(phe)[c] => AMP[c] + L-phenylalanyl-tRNA(phe)[c] + PPi[c] 23.95893602 5.42E-06 Aminoacyl-tRNA biosynthesis +HMR_5146 ATP[c] + proline[c] + tRNA(pro)[c] => AMP[c] + L-prolyl-tRNA(pro)[c] + PPi[c] 29.94867002 6.77E-06 Aminoacyl-tRNA biosynthesis +HMR_5147 ATP[c] + serine[c] + tRNA(ser)[c] => AMP[c] + L-seryl-tRNA(ser)[c] + PPi[c] 47.91787203 1.08E-05 Aminoacyl-tRNA biosynthesis +HMR_5148 ATP[c] + threonine[c] + tRNA(thr)[c] => AMP[c] + L-threonyl-tRNA(thr)[c] + PPi[c] 35.93840402 8.13E-06 Aminoacyl-tRNA biosynthesis +HMR_5149 ATP[c] + tRNA(trp)[c] + tryptophan[c] => AMP[c] + L-tryptophanyl-tRNA(trp)[c] + PPi[c] 14.97433501 3.39E-06 Aminoacyl-tRNA biosynthesis +HMR_5150 ATP[c] + tRNA(val)[c] + valine[c] => AMP[c] + L-valyl-tRNA(val)[c] + PPi[c] 44.92300503 1.02E-05 Aminoacyl-tRNA biosynthesis +HMR_5166 801 ATP[c] + 11 glycyl-tRNA(gly)[c] + 802 H2O[c] + 23 L-alanyl-tRNA(ala)[c] + 17 L-arginyl-tRNA(arg)[c] + 5 L-asparaginyl-tRNA(asn)[c] + 16 L-aspartyl-tRNA(asp)[c] + 19 L-glutaminyl-tRNA(gln)[c] + 30 L-glutamyl-tRNA(glu)[c] + 6 L-histidyl-tRNA(his)[c] + 41 L-leucyl-tRNA(leu)[c] + 22 L-lysyl-tRNA(lys)[c] + 4 L-methionyl-tRNA(met)[c] + 8 L-phenylalanyl-tRNA(phe)[c] + 10 L-prolyl-tRNA(pro)[c] + 16 L-seryl-tRNA(ser)[c] + 12 L-threonyl-tRNA(thr)[c] + 5 L-tryptophanyl-tRNA(trp)[c] + 7 L-tyrosyl-tRNA(tyr)[c] + 15 L-valyl-tRNA(val)[c] => 801 ADP[c] + apoA1[c] + 1061 H+[c] + 801 Pi[c] + 23 tRNA(ala)[c] + 17 tRNA(arg)[c] + 5 tRNA(asn)[c] + 16 tRNA(asp)[c] + 19 tRNA(gln)[c] + 30 tRNA(glu)[c] + 11 tRNA(gly)[c] + 6 tRNA(his)[c] + 41 tRNA(leu)[c] + 22 tRNA(lys)[c] + 4 tRNA(met)[c] + 8 tRNA(phe)[c] + 10 tRNA(pro)[c] + 16 tRNA(ser)[c] + 12 tRNA(thr)[c] + 5 tRNA(trp)[c] + 7 tRNA(tyr)[c] + 15 tRNA(val)[c] 2.994867002 6.77E-07 Protein assembly +HMR_7617 [protein]-L-tyrosine[c] + ATP[c] => [protein]-tyrosine-phosphate[c] + ADP[c] + H+[c] 1000 0.001639054 Protein modification +HMR_7618 [protein]-tyrosine-phosphate[c] + H2O[c] => [protein]-L-tyrosine[c] + Pi[c] 1000 0.001639054 Protein modification +HMR_7621 [protein][c] + arginine[c] => [protein]-L-arginine[c] + H2O[c] 999.9998959 0.00024352 Protein modification +HMR_7624 [protein]-omega-N-(ADP-D-ribosyl)-L-arginine[c] + H2O[c] => [protein]-L-arginine[c] + ADP-ribose[c] 999.9998959 0.00024352 Protein modification +HMR_7626 H2O[c] + N(omega)-(ADP-D-ribosyl)-L-arginine[c] => ADP-ribose[c] + arginine[c] 999.9998959 0.00024352 Protein modification +HMR_5407 CO2[s] + H2O[s] <=> carbonate[s] 1000 0.832251952 Nitrogen metabolism +HMR_3915 SAM[c] + THF[c] => 5-methyl-THF[c] + SAH[c] 999.9999981 1.42E-07 Sulfur metabolism +HMR_4084 H2O[c] + PAP[c] => AMP[c] + Pi[c] 1000 0.000327149 Sulfur metabolism +HMR_4187 H2O[c] + PAPS[c] => adenylyl sulfate[c] + Pi[c] 1000 0.001115285 Sulfur metabolism +HMR_8662 CoA[m] + GTP[m] + itaconate[m] <=> GDP[m] + itaconyl-CoA[m] + Pi[m] 2000 0.039732715 C5-branched dibasic acid metabolism +HMR_8663 ADP[m] + itaconyl-CoA[m] + Pi[m] <=> ATP[m] + CoA[m] + itaconate[m] 2000 0.039732715 C5-branched dibasic acid metabolism +HMR_8667 ADP[m] + mesaconyl-CoA[m] + Pi[m] <=> ATP[m] + CoA[m] + mesaconate[m] 2000 0.039732714 C5-branched dibasic acid metabolism +HMR_8668 CoA[m] + GTP[m] + mesaconate[m] <=> GDP[m] + mesaconyl-CoA[m] + Pi[m] 2000 0.039732715 C5-branched dibasic acid metabolism +HMR_0710 isocitrate[c] + NADP+[c] => AKG[c] + CO2[c] + NADPH[c] 999.9999867 0.003311768 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_3787 acetoacetate[m] + succinyl-CoA[m] => acetoacetyl-CoA[m] + succinate[m] 499.9980271 0.001142131 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_3957 isocitrate[m] + NAD+[m] => AKG[m] + CO2[m] + NADH[m] 999.9999867 0.003219872 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_3958 isocitrate[m] + NADP+[m] => AKG[m] + CO2[m] + NADPH[m] 999.9999867 0.003218692 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4111 H+[c] + oxalosuccinate[c] => AKG[c] + CO2[c] 999.9999867 0.003172118 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4112 H+[m] + oxalosuccinate[m] => AKG[m] + CO2[m] 999.9999867 0.003172212 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4147 CoA[m] + GTP[m] + succinate[m] <=> GDP[m] + Pi[m] + succinyl-CoA[m] 2000 0.289578781 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4149 ATP[c] + citrate[c] + CoA[c] => acetyl-CoA[c] + ADP[c] + OAA[c] + Pi[c] 999.9999867 0.006783525 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4152 ADP[m] + Pi[m] + succinyl-CoA[m] <=> ATP[m] + CoA[m] + succinate[m] 2000 0.321463663 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4209 AKG[m] + H+[m] + thiamin-PP[m] => 3-carboxy-1-hydroxypropyl-ThPP[m] + CO2[m] 1000 0.000395974 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4454 citrate[c] <=> isocitrate[c] 2000 0.003489678 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4456 citrate[m] <=> isocitrate[m] 2000 0.003938167 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4458 cis-aconitate[m] + H2O[m] <=> citrate[m] 2000 0.001869679 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4465 H+[c] + hydroxypyruvate[c] + NADPH[c] => glycerate[c] + NADP+[c] 1000 0.00049828 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4585 H+[c] + NADPH[c] + oxalosuccinate[c] <=> isocitrate[c] + NADP+[c] 999.9999867 0.003172118 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4586 H+[m] + NADPH[m] + oxalosuccinate[m] <=> isocitrate[m] + NADP+[m] 2000 0.066997958 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4588 H+[m] + NADH[m] + oxalosuccinate[m] <=> isocitrate[m] + NAD+[m] 2000 0.066997956 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_4589 cis-aconitate[m] + H2O[m] <=> isocitrate[m] 2000 0.001869679 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_5294 citrate[m] => acetate[m] + OAA[m] 999.9999867 0.029693164 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_5297 AKG[m] + CoA[m] + NAD+[m] => CO2[m] + NADH[m] + succinyl-CoA[m] 1000 0.003279517 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_6411 AKG[m] + H+[m] + lipoamide[m] => CO2[m] + S-succinyldihydrolipoamide[m] 1000 0.000784073 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_6413 3-carboxy-1-hydroxypropyl-ThPP[m] + lipoamide[m] => S-succinyldihydrolipoamide[m] + thiamin-PP[m] 1000 0.000395974 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_8772 ATP[c] + D-xylulose[c] => ADP[c] + D-xylulose-1-phosphate[c] + H+[c] 1000 0.001844475 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_8773 D-xylulose-1-phosphate[c] <=> DHAP[c] + glycolaldehyde[c] 1000 0.001844475 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_8775 glycolaldehyde[c] + H2O[c] + NAD+[c] => glycolate[c] + 2 H+[c] + NADH[c] 1000 0.001844475 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_8780 glyoxalate[c] + H2O[c] + NAD+[c] => 2 H+[c] + NADH[c] + oxalate[c] 1000 0.001844475 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_8782 H+[c] + hydroxypyruvate[c] + NADH[c] => glycerate[c] + NAD+[c] 1000 0.000498278 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +HMR_3977 H2O[c] + PPi[c] => H+[c] + 2 Pi[c] 1000 0.003296793 Oxidative phosphorylation +HMR_6911 FADH2[m] + ubiquinone[m] <=> FAD[m] + ubiquinol[m] 2000 0.319625126 Oxidative phosphorylation +HMR_6912 H2O[m] + PPi[m] => H+[m] + 2 Pi[m] 999.9998959 0.000929149 Oxidative phosphorylation +HMR_6916 ADP[m] + Pi[m] + 3 H+[i] => ATP[m] + 2 H+[m] + H2O[m] 1000 0.003279517 Oxidative phosphorylation +HMR_6918 2 ferricytochrome C[m] + 2 H+[m] + ubiquinol[m] => 2 ferrocytochrome C[m] + ubiquinone[m] + 4 H+[i] 1000 0.002377708 Oxidative phosphorylation +HMR_6921 5 H+[m] + NADH[m] + ubiquinone[m] => NAD+[m] + ubiquinol[m] + 4 H+[i] 1000 0.000152205 Oxidative phosphorylation +HMR_3980 2 H2O2[c] => 2 H2O[c] + O2[c] 620.8325445 1.050618446 ROS detoxification +HMR_3982 2 H2O2[m] => 2 H2O[m] + O2[m] 803.020274 0.000979185 ROS detoxification +HMR_8410 2 H+[m] + 2 O2-[m] => H2O2[m] + O2[m] 10 1.15E-05 ROS detoxification +HMR_0188 AMP[c] + lauroyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + lauric acid[c] 1173.477487 4.37E-05 Fatty acid activation (cytosolic) +HMR_0192 AMP[c] + PPi[c] + tridecanoyl-CoA[c] <=> ATP[c] + CoA[c] + tridecylic acid[c] 1166.666527 3.25E-05 Fatty acid activation (cytosolic) +HMR_0196 AMP[c] + myristoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + myristic acid[c] 1151.817021 6.36E-05 Fatty acid activation (cytosolic) +HMR_0200 (9E)-tetradecenoic acid[c] + ATP[c] + CoA[c] <=> (9E)-tetradecenoyl-CoA[c] + AMP[c] + PPi[c] 1172.936102 4.17E-05 Fatty acid activation (cytosolic) +HMR_0204 (7Z)-tetradecenoic acid[c] + ATP[c] + CoA[c] <=> (7Z)-tetradecenoyl-CoA[c] + AMP[c] + PPi[c] 1172.936102 4.17E-05 Fatty acid activation (cytosolic) +HMR_0209 5-tetradecenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + CoA[c] + physeteric acid[c] 1172.985445 4.17E-05 Fatty acid activation (cytosolic) +HMR_0213 AMP[c] + pentadecanoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + pentadecylic acid[c] 1142.857023 3.25E-05 Fatty acid activation (cytosolic) +HMR_0217 AMP[c] + palmitoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + palmitate[c] 2000 0.000591153 Fatty acid activation (cytosolic) +HMR_0226 AMP[c] + palmitoleoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + palmitolate[c] 1999.949347 7.65E-05 Fatty acid activation (cytosolic) +HMR_0233 7-hexadecenoyl-CoA[c] + AMP[c] + PPi[c] <=> 7-palmitoleic acid[c] + ATP[c] + CoA[c] 1151.569875 7.65E-05 Fatty acid activation (cytosolic) +HMR_0237 AMP[c] + heptadecanoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + margaric acid[c] 999.9999929 2.41E-05 Fatty acid activation (cytosolic) +HMR_0241 (10Z)-heptadecenoic acid[c] + ATP[c] + CoA[c] <=> (10Z)-heptadecenoyl-CoA[c] + AMP[c] + PPi[c] 1142.857024 3.57E-05 Fatty acid activation (cytosolic) +HMR_0245 9-heptadecenoyl-CoA[c] + AMP[c] + PPi[c] <=> 9-heptadecylenic acid[c] + ATP[c] + CoA[c] 1142.857024 3.57E-05 Fatty acid activation (cytosolic) +HMR_0249 AMP[c] + PPi[c] + stearoyl-CoA[c] <=> ATP[c] + CoA[c] + stearate[c] 1135.467155 7.07E-05 Fatty acid activation (cytosolic) +HMR_0255 (13Z)-octadecenoic acid[c] + ATP[c] + CoA[c] <=> (13Z)-octadecenoyl-CoA[c] + AMP[c] + PPi[c] 1134.934367 6.47E-05 Fatty acid activation (cytosolic) +HMR_0259 AMP[c] + cis-vaccenoyl-CoA[c] + PPi[c] <=> ATP[c] + cis-vaccenic acid[c] + CoA[c] 1704.064503 6.51E-05 Fatty acid activation (cytosolic) +HMR_0263 ATP[c] + CoA[c] + oleate[c] => AMP[c] + oleoyl-CoA[c] + PPi[c] 1000 2.41E-05 Fatty acid activation (cytosolic) +HMR_0267 (9E)-octadecenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + CoA[c] + elaidate[c] 2000 6.49E-05 Fatty acid activation (cytosolic) +HMR_0271 (13Z)-octadecenoyl-CoA[c] + AMP[c] + PPi[c] <=> (7Z)-octadecenoic acid[c] + ATP[c] + CoA[c] 828.4190316 5.62E-05 Fatty acid activation (cytosolic) +HMR_0275 "(6Z,9Z)-octadecadienoic acid[c] + ATP[c] + CoA[c] <=> (6Z,9Z)-octadecadienoyl-CoA[c] + AMP[c] + PPi[c]" 1134.910649 6.11E-05 Fatty acid activation (cytosolic) +HMR_0279 AMP[c] + nonadecanoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + nonadecylic acid[c] 1124.999896 3.52E-05 Fatty acid activation (cytosolic) +HMR_0283 AMP[c] + eicosanoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + eicosanoate[c] 1120.552938 5.96E-05 Fatty acid activation (cytosolic) +HMR_0289 (13Z)-eicosenoic acid[c] + ATP[c] + CoA[c] <=> (13Z)-eicosenoyl-CoA[c] + AMP[c] + PPi[c] 1120.128812 5.73E-05 Fatty acid activation (cytosolic) +HMR_0293 (11Z)-eicosenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + cis-gondoic acid[c] + CoA[c] 1120.128812 5.73E-05 Fatty acid activation (cytosolic) +HMR_0297 9-eicosenoic acid[c] + ATP[c] + CoA[c] <=> 9-eicosenoyl-CoA[c] + AMP[c] + PPi[c] 1120.128812 5.73E-05 Fatty acid activation (cytosolic) +HMR_0301 "(8Z,11Z)-eicosadienoyl-CoA[c] + AMP[c] + PPi[c] <=> 8,11-eicosadienoic acid[c] + ATP[c] + CoA[c]" 1120.107805 5.48E-05 Fatty acid activation (cytosolic) +HMR_0305 "(5Z,8Z,11Z)-eicosatrienoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + CoA[c] + mead acid[c]" 1119.329924 5.27E-05 Fatty acid activation (cytosolic) +HMR_0309 AMP[c] + heneicosanoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + henicosanoic acid[c] 1111.111018 3.46E-05 Fatty acid activation (cytosolic) +HMR_0313 AMP[c] + docosanoyl-CoA[c] + PPi[c] <=> ATP[c] + behenic acid[c] + CoA[c] 1108.596985 5.38E-05 Fatty acid activation (cytosolic) +HMR_0319 (13Z)-docosenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + cis-erucic acid[c] + CoA[c] 1108.251059 5.22E-05 Fatty acid activation (cytosolic) +HMR_0323 (11Z)-docosenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + cis-cetoleic acid[c] + CoA[c] 1108.251059 5.22E-05 Fatty acid activation (cytosolic) +HMR_0327 AMP[c] + PPi[c] + tricosanoyl-CoA[c] <=> ATP[c] + CoA[c] + tricosanoic acid[c] 1099.999917 3.40E-05 Fatty acid activation (cytosolic) +HMR_0331 AMP[c] + PPi[c] + tetracosanoyl-CoA[c] <=> ATP[c] + CoA[c] + lignocerate[c] 2000 0.000590767 Fatty acid activation (cytosolic) +HMR_0337 (15Z)-tetracosenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + CoA[c] + nervonic acid[c] 1098.51079 4.84E-05 Fatty acid activation (cytosolic) +HMR_0341 AMP[c] + hexacosanoyl-CoA[c] + PPi[c] <=> ATP[c] + cerotic acid[c] + CoA[c] 1090.621948 4.65E-05 Fatty acid activation (cytosolic) +HMR_0345 AMP[c] + hexacosenoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + ximenic acid[c] 1090.378654 4.55E-05 Fatty acid activation (cytosolic) +HMR_0349 AMP[c] + linolenoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + linolenate[c] 999.999973 8.40E-05 Fatty acid activation (cytosolic) +HMR_0353 "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + CoA[c] + stearidonic acid[c]" 1999.996054 4.67E-05 Fatty acid activation (cytosolic) +HMR_0357 "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + CoA[c] + omega-3-arachidonic acid[c]" 1999.739628 4.57E-05 Fatty acid activation (cytosolic) +HMR_0361 "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + CoA[c] + EPA[c]" 1499.998027 4.49E-05 Fatty acid activation (cytosolic) +HMR_0365 "(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + CoA[c] + DPA[c]" 1499.993923 4.39E-05 Fatty acid activation (cytosolic) +HMR_0369 "(9Z,12Z,15Z,18Z,21Z)-TPA[c] + ATP[c] + CoA[c] <=> (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA[c] + AMP[c] + PPi[c]" 1333.333055 8.67E-05 Fatty acid activation (cytosolic) +HMR_0373 "(6Z,9Z,12Z,15Z,18Z,21Z)-THA[c] + ATP[c] + CoA[c] <=> (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA[c] + AMP[c] + PPi[c]" 1333.329282 7.85E-05 Fatty acid activation (cytosolic) +HMR_0377 "(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[c] + AMP[c] + PPi[c] <=> ATP[c] + CoA[c] + DHA[c]" 1186.045778 3.16E-05 Fatty acid activation (cytosolic) +HMR_0381 "(11Z,14Z,17Z)-eicosatrienoic acid[c] + ATP[c] + CoA[c] <=> (11Z,14Z,17Z)-eicosatrienoyl-CoA[c] + AMP[c] + PPi[c]" 1999.998423 4.52E-05 Fatty acid activation (cytosolic) +HMR_0385 "13,16,19-docosatrienoic acid[c] + ATP[c] + CoA[c] <=> 13,16,19-docosatrienoyl-CoA[c] + AMP[c] + PPi[c]" 1499.999583 4.30E-05 Fatty acid activation (cytosolic) +HMR_0389 "10,13,16,19-docosatetraenoic acid[c] + ATP[c] + CoA[c] <=> 10,13,16,19-docosatetraenoyl-CoA[c] + AMP[c] + PPi[c]" 1499.999583 4.34E-05 Fatty acid activation (cytosolic) +HMR_0393 "12,15,18,21-tetracosatetraenoic acid[c] + ATP[c] + CoA[c] <=> 12,15,18,21-tetracosatetraenoyl-CoA[c] + AMP[c] + PPi[c]" 1333.333055 8.67E-05 Fatty acid activation (cytosolic) +HMR_0397 AMP[c] + linoleoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + linoleate[c] 1999.999435 0.000590736 Fatty acid activation (cytosolic) +HMR_0401 AMP[c] + gamma-linolenoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + gamma-linolenate[c] 2000 0.000262669 Fatty acid activation (cytosolic) +HMR_0405 AMP[c] + dihomo-gamma-linolenoyl-CoA[c] + PPi[c] <=> ATP[c] + CoA[c] + dihomo-gamma-linolenate[c] 1999.999166 0.000187834 Fatty acid activation (cytosolic) +HMR_0409 AMP[c] + arachidonyl-CoA[c] + PPi[c] <=> arachidonate[c] + ATP[c] + CoA[c] 2000 0.00087876 Fatty acid activation (cytosolic) +HMR_0413 "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[c] + AMP[c] + PPi[c] <=> adrenic acid[c] + ATP[c] + CoA[c]" 1499.993393 0.00011982 Fatty acid activation (cytosolic) +HMR_0417 "(9Z,12Z,15Z,18Z)-TTA[c] + ATP[c] + CoA[c] <=> (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA[c] + AMP[c] + PPi[c]" 1333.333055 8.67E-05 Fatty acid activation (cytosolic) +HMR_0421 "(6Z,9Z,12Z,15Z,18Z)-TPA[c] + ATP[c] + CoA[c] <=> (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA[c] + AMP[c] + PPi[c]" 1333.333055 8.67E-05 Fatty acid activation (cytosolic) +HMR_0425 "(4Z,7Z,10Z,13Z,16Z)-DPA[c] + ATP[c] + CoA[c] <=> (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[c] + AMP[c] + PPi[c]" 1333.333055 8.66E-05 Fatty acid activation (cytosolic) +HMR_0429 "(11Z,14Z)-eicosadienoic acid[c] + ATP[c] + CoA[c] <=> (11Z,14Z)-eicosadienoyl-CoA[c] + AMP[c] + PPi[c]" 1999.999166 0.000161339 Fatty acid activation (cytosolic) +HMR_0433 "(13Z,16Z)-docosadienoic acid[c] + ATP[c] + CoA[c] <=> (13Z,16Z)-docosadienoyl-CoA[c] + AMP[c] + PPi[c]" 1499.999583 0.000102195 Fatty acid activation (cytosolic) +HMR_0437 "10,13,16-docosatrienoyl-CoA[c] + AMP[c] + PPi[c] <=> 10,13,16-docosatriynoic acid[c] + ATP[c] + CoA[c]" 1499.999583 0.000110114 Fatty acid activation (cytosolic) +HMR_2942 AMP[r] + lauroyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + lauric acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2943 AMP[r] + PPi[r] + tridecanoyl-CoA[r] <=> ATP[r] + CoA[r] + tridecylic acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2944 AMP[r] + myristoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + myristic acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2945 5-tetradecenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + CoA[r] + physeteric acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2946 (9E)-tetradecenoic acid[r] + ATP[r] + CoA[r] <=> (9E)-tetradecenoyl-CoA[r] + AMP[r] + PPi[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2947 (7Z)-tetradecenoic acid[r] + ATP[r] + CoA[r] <=> (7Z)-tetradecenoyl-CoA[r] + AMP[r] + PPi[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2948 AMP[r] + pentadecanoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + pentadecylic acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2949 AMP[r] + palmitoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + palmitate[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2951 7-hexadecenoyl-CoA[r] + AMP[r] + PPi[r] <=> 7-palmitoleic acid[r] + ATP[r] + CoA[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2952 AMP[r] + palmitoleoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + palmitolate[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2954 AMP[r] + heptadecanoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + margaric acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2955 (10Z)-heptadecenoic acid[r] + ATP[r] + CoA[r] <=> (10Z)-heptadecenoyl-CoA[r] + AMP[r] + PPi[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2956 9-heptadecenoyl-CoA[r] + AMP[r] + PPi[r] <=> 9-heptadecylenic acid[r] + ATP[r] + CoA[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2957 AMP[r] + PPi[r] + stearoyl-CoA[r] <=> ATP[r] + CoA[r] + stearate[r] 285.7133316 0.000110625 Fatty acid activation (endoplasmic reticular) +HMR_2959 ATP[r] + CoA[r] + oleate[r] => AMP[r] + oleoyl-CoA[r] + PPi[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2961 (9E)-octadecenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + CoA[r] + elaidate[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2962 (13Z)-octadecenoic acid[r] + ATP[r] + CoA[r] <=> (13Z)-octadecenoyl-CoA[r] + AMP[r] + PPi[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2963 AMP[r] + cis-vaccenoyl-CoA[r] + PPi[r] <=> ATP[r] + cis-vaccenic acid[r] + CoA[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2964 "(6Z,9Z)-octadecadienoic acid[r] + ATP[r] + CoA[r] <=> (6Z,9Z)-octadecadienoyl-CoA[r] + AMP[r] + PPi[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2965 AMP[r] + nonadecanoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + nonadecylic acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2966 AMP[r] + eicosanoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + eicosanoate[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2967 (11Z)-eicosenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + cis-gondoic acid[r] + CoA[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2968 (13Z)-eicosenoic acid[r] + ATP[r] + CoA[r] <=> (13Z)-eicosenoyl-CoA[r] + AMP[r] + PPi[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2969 9-eicosenoic acid[r] + ATP[r] + CoA[r] <=> 9-eicosenoyl-CoA[r] + AMP[r] + PPi[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2970 "(8Z,11Z)-eicosadienoyl-CoA[r] + AMP[r] + PPi[r] <=> 8,11-eicosadienoic acid[r] + ATP[r] + CoA[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2971 "(5Z,8Z,11Z)-eicosatrienoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + CoA[r] + mead acid[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2972 AMP[r] + heneicosanoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + henicosanoic acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2973 AMP[r] + docosanoyl-CoA[r] + PPi[r] <=> ATP[r] + behenic acid[r] + CoA[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2974 (13Z)-docosenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + cis-erucic acid[r] + CoA[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2975 (11Z)-docosenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + cis-cetoleic acid[r] + CoA[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2976 AMP[r] + PPi[r] + tricosanoyl-CoA[r] <=> ATP[r] + CoA[r] + tricosanoic acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2977 AMP[r] + PPi[r] + tetracosanoyl-CoA[r] <=> ATP[r] + CoA[r] + lignocerate[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2978 (15Z)-tetracosenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + CoA[r] + nervonic acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2979 AMP[r] + hexacosanoyl-CoA[r] + PPi[r] <=> ATP[r] + cerotic acid[r] + CoA[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2980 AMP[r] + hexacosenoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + ximenic acid[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2981 AMP[r] + linolenoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + linolenate[r] 1210.525503 3.30E-05 Fatty acid activation (endoplasmic reticular) +HMR_2982 "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + CoA[r] + stearidonic acid[r]" 360.7130813 6.40E-05 Fatty acid activation (endoplasmic reticular) +HMR_2983 "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + CoA[r] + omega-3-arachidonic acid[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2984 "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + CoA[r] + EPA[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2985 "(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + CoA[r] + DPA[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2986 "(9Z,12Z,15Z,18Z,21Z)-TPA[r] + ATP[r] + CoA[r] <=> (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA[r] + AMP[r] + PPi[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2987 "(6Z,9Z,12Z,15Z,18Z,21Z)-THA[r] + ATP[r] + CoA[r] <=> (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA[r] + AMP[r] + PPi[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2988 "(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[r] + AMP[r] + PPi[r] <=> ATP[r] + CoA[r] + DHA[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2989 "(11Z,14Z,17Z)-eicosatrienoic acid[r] + ATP[r] + CoA[r] <=> (11Z,14Z,17Z)-eicosatrienoyl-CoA[r] + AMP[r] + PPi[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2990 "13,16,19-docosatrienoic acid[r] + ATP[r] + CoA[r] <=> 13,16,19-docosatrienoyl-CoA[r] + AMP[r] + PPi[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2991 AMP[r] + linoleoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + linoleate[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2992 AMP[r] + gamma-linolenoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + gamma-linolenate[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2994 AMP[r] + dihomo-gamma-linolenoyl-CoA[r] + PPi[r] <=> ATP[r] + CoA[r] + dihomo-gamma-linolenate[r] 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2996 AMP[r] + arachidonyl-CoA[r] + PPi[r] <=> arachidonate[r] + ATP[r] + CoA[r] 285.7133316 0.000111449 Fatty acid activation (endoplasmic reticular) +HMR_2998 "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[r] + AMP[r] + PPi[r] <=> adrenic acid[r] + ATP[r] + CoA[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2999 "(9Z,12Z,15Z,18Z)-TTA[r] + ATP[r] + CoA[r] <=> (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA[r] + AMP[r] + PPi[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_3000 "(6Z,9Z,12Z,15Z,18Z)-TPA[r] + ATP[r] + CoA[r] <=> (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA[r] + AMP[r] + PPi[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_3001 "(4Z,7Z,10Z,13Z,16Z)-DPA[r] + ATP[r] + CoA[r] <=> (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[r] + AMP[r] + PPi[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_3002 "(11Z,14Z)-eicosadienoic acid[r] + ATP[r] + CoA[r] <=> (11Z,14Z)-eicosadienoyl-CoA[r] + AMP[r] + PPi[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_3003 "(13Z,16Z)-docosadienoic acid[r] + ATP[r] + CoA[r] <=> (13Z,16Z)-docosadienoyl-CoA[r] + AMP[r] + PPi[r]" 285.7133316 2.42E-05 Fatty acid activation (endoplasmic reticular) +HMR_2152 acetyl-[ACP][c] + H+[c] + malonyl-[ACP][c] => [ACP][c] + acetoacetyl-[ACP][c] + CO2[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2153 acetoacetyl-[ACP][c] + H+[c] + NADPH[c] => (R)-3-hydroxybutanoyl-[ACP][c] + NADP+[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2154 (R)-3-hydroxybutanoyl-[ACP][c] => but-2-enoyl-[ACP][c] + H2O[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2155 but-2-enoyl-[ACP][c] + H+[c] + NADPH[c] => butyryl-[ACP][c] + NADP+[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2156 butyryl-[ACP][c] + H+[c] + malonyl-[ACP][c] => [ACP][c] + 3-oxohexanoyl-[ACP][c] + CO2[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2157 3-oxohexanoyl-[ACP][c] + H+[c] + NADPH[c] => D-3-hydroxyhexanoyl-[ACP][c] + NADP+[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2158 D-3-hydroxyhexanoyl-[ACP][c] => (2E)-hexenoyl-[ACP][c] + H2O[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2159 (2E)-hexenoyl-[ACP][c] + H+[c] + NADPH[c] => hexanoyl-[ACP][c] + NADP+[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2160 H+[c] + hexanoyl-[ACP][c] + malonyl-[ACP][c] => [ACP][c] + 3-oxooctanoyl-[ACP][c] + CO2[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2161 3-oxooctanoyl-[ACP][c] + H+[c] + NADPH[c] => (R)-3-hydroxyoctanoyl-[ACP][c] + NADP+[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2162 (R)-3-hydroxyoctanoyl-[ACP][c] => (2E)-octenoyl-[ACP][c] + H2O[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2163 (2E)-octenoyl-[ACP][c] + H+[c] + NADPH[c] => NADP+[c] + octanoyl-[ACP][c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2164 H+[c] + malonyl-[ACP][c] + octanoyl-[ACP][c] => [ACP][c] + 3-oxodecanoyl-[ACP][c] + CO2[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2165 3-oxodecanoyl-[ACP][c] + H+[c] + NADPH[c] => (R)-3-hydroxydecanoyl-[ACP][c] + NADP+[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2166 (R)-3-hydroxydecanoyl-[ACP][c] => (2E)-decenoyl-[ACP][c] + H2O[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2167 (2E)-decenoyl-[ACP][c] + H+[c] + NADPH[c] => decanoyl-[ACP][c] + NADP+[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2168 decanoyl-[ACP][c] + H+[c] + malonyl-[ACP][c] => [ACP][c] + 3-oxododecanoyl-[ACP][c] + CO2[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2169 3-oxododecanoyl-[ACP][c] + H+[c] + NADPH[c] => D-3-hydroxydodecanoyl-[ACP][c] + NADP+[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2170 D-3-hydroxydodecanoyl-[ACP][c] => (2E)-dodecenoyl-[ACP][c] + H2O[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2171 (2E)-dodecenoyl-[ACP][c] + H+[c] + NADPH[c] => dodecanoyl-[ACP][c] + NADP+[c] 199.9998331 9.34E-05 Fatty acid biosynthesis (even-chain) +HMR_2173 dodecanoyl-[ACP][c] + H+[c] + malonyl-[ACP][c] => [ACP][c] + 3-oxotetradecanoyl-[ACP][c] + CO2[c] 166.6665276 8.35E-05 Fatty acid biosynthesis (even-chain) +HMR_2174 3-oxotetradecanoyl-[ACP][c] + H+[c] + NADPH[c] => HMA[c] + NADP+[c] 1000 0.075901476 Fatty acid biosynthesis (even-chain) +HMR_2175 HMA[c] => (2E)-tetradecenoyl-[ACP][c] + H2O[c] 166.6665276 8.35E-05 Fatty acid biosynthesis (even-chain) +HMR_2176 (2E)-tetradecenoyl-[ACP][c] + H+[c] + NADPH[c] => NADP+[c] + tetradecanoyl-[ACP][c] 166.6665276 8.35E-05 Fatty acid biosynthesis (even-chain) +HMR_2178 H+[c] + malonyl-[ACP][c] + tetradecanoyl-[ACP][c] => [ACP][c] + 3-oxohexadecanoyl-[ACP][c] + CO2[c] 142.8570237 9.62E-05 Fatty acid biosynthesis (even-chain) +HMR_2179 3-oxohexadecanoyl-[ACP][c] + H+[c] + NADPH[c] => (R)-3-hydroxypalmitoyl-[ACP][c] + NADP+[c] 142.8570237 9.62E-05 Fatty acid biosynthesis (even-chain) +HMR_2180 (R)-3-hydroxypalmitoyl-[ACP][c] => (2E)-hexadecenoyl-[ACP][c] + H2O[c] 142.8570237 9.62E-05 Fatty acid biosynthesis (even-chain) +HMR_2181 (2E)-hexadecenoyl-[ACP][c] + H+[c] + NADPH[c] => hexadecanoyl-[ACP][c] + NADP+[c] 142.8570237 9.62E-05 Fatty acid biosynthesis (even-chain) +HMR_4156 acetyl-CoA[c] + ATP[c] + HCO3-[c] => ADP[c] + H+[c] + malonyl-CoA[c] + Pi[c] 999.9999841 0.001110079 Fatty acid biosynthesis (even-chain) +HMR_4295 acetyl-CoA[m] + ATP[m] + HCO3-[m] => ADP[m] + H+[m] + malonyl-CoA[m] + Pi[m] 1000 0.001076203 Fatty acid biosynthesis (even-chain) +HMR_2227 [ACP][c] + propanoyl-CoA[c] => CoA[c] + propanoyl-[ACP][c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2228 H+[c] + malonyl-[ACP][c] + propanoyl-[ACP][c] => [ACP][c] + 3-oxopentanoyl-[ACP][c] + CO2[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2229 3-oxopentanoyl-[ACP][c] + H+[c] + NADPH[c] => 3-hydroxypentanoyl-[ACP][c] + NADP+[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2230 3-hydroxypentanoyl-[ACP][c] => (2E)-pentenoyl-[ACP][c] + H2O[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2231 (2E)-pentenoyl-[ACP][c] + H+[c] + NADPH[c] => NADP+[c] + pentanoyl-[ACP][c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2232 H+[c] + malonyl-[ACP][c] + pentanoyl-[ACP][c] => [ACP][c] + 3-oxoheptanoyl-[ACP][c] + CO2[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2233 3-oxoheptanoyl-[ACP][c] + H+[c] + NADPH[c] => 3-hydroxyheptanoyl-[ACP][c] + NADP+[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2234 3-hydroxyheptanoyl-[ACP][c] => (2E)-heptenoyl-[ACP][c] + H2O[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2235 (2E)-heptenoyl-[ACP][c] + H+[c] + NADPH[c] => heptanoyl-[ACP][c] + NADP+[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2236 H+[c] + heptanoyl-[ACP][c] + malonyl-[ACP][c] => [ACP][c] + 3-oxononanoyl-[ACP][c] + CO2[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2237 3-oxononanoyl-[ACP][c] + H+[c] + NADPH[c] => 3-hydroxynonanoyl-[ACP][c] + NADP+[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2238 3-hydroxynonanoyl-[ACP][c] => (2E)-nonenoyl-[ACP][c] + H2O[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2239 (2E)-nonenoyl-[ACP][c] + H+[c] + NADPH[c] => NADP+[c] + nonanoyl-[ACP][c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2240 H+[c] + malonyl-[ACP][c] + nonanoyl-[ACP][c] => [ACP][c] + 3-oxoundecanoyl-[ACP][c] + CO2[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2241 3-oxoundecanoyl-[ACP][c] + H+[c] + NADPH[c] => 3-hydroxyundecanoyl-[ACP][c] + NADP+[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2242 3-hydroxyundecanoyl-[ACP][c] => (2E)-undecenoyl-[ACP][c] + H2O[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2243 (2E)-undecenoyl-[ACP][c] + H+[c] + NADPH[c] => NADP+[c] + undecanoyl-[ACP][c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2244 H+[c] + malonyl-[ACP][c] + undecanoyl-[ACP][c] => [ACP][c] + 3-oxotridecanoyl-[ACP][c] + CO2[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2245 3-oxotridecanoyl-[ACP][c] + H+[c] + NADPH[c] => 3-hydroxytridecanoyl-[ACP][c] + NADP+[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2246 3-hydroxytridecanoyl-[ACP][c] => (2E)-tridecenoyl-[ACP][c] + H2O[c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2247 (2E)-tridecenoyl-[ACP][c] + H+[c] + NADPH[c] => NADP+[c] + tridecanoyl-[ACP][c] 199.9998331 2.51E-05 Fatty acid biosynthesis (odd-chain) +HMR_2249 H+[c] + malonyl-[ACP][c] + tridecanoyl-[ACP][c] => [ACP][c] + 3-oxopentadecanoyl-[ACP][c] + CO2[c] 166.6665286 2.41E-05 Fatty acid biosynthesis (odd-chain) +HMR_2250 3-oxopentadecanoyl-[ACP][c] + H+[c] + NADPH[c] => 3-hydroxypentadecanoyl-[ACP][c] + NADP+[c] 166.6665286 2.41E-05 Fatty acid biosynthesis (odd-chain) +HMR_2251 3-hydroxypentadecanoyl-[ACP][c] => (2E)-pentadecenoyl-[ACP][c] + H2O[c] 166.6665286 2.41E-05 Fatty acid biosynthesis (odd-chain) +HMR_2252 (2E)-pentadecenoyl-[ACP][c] + H+[c] + NADPH[c] => NADP+[c] + pentadecanoyl-[ACP][c] 166.6665286 2.41E-05 Fatty acid biosynthesis (odd-chain) +HMR_2254 H+[c] + malonyl-[ACP][c] + pentadecanoyl-[ACP][c] => [ACP][c] + 3-oxoheptadecanoyl-[ACP][c] + CO2[c] 142.8570255 2.31E-05 Fatty acid biosynthesis (odd-chain) +HMR_2255 3-oxoheptadecanoyl-[ACP][c] + H+[c] + NADPH[c] => 3-hydroxyheptadecanoyl-[ACP][c] + NADP+[c] 142.8570255 2.31E-05 Fatty acid biosynthesis (odd-chain) +HMR_2256 3-hydroxyheptadecanoyl-[ACP][c] => (2E)-heptadecenoyl-[ACP][c] + H2O[c] 142.8570255 2.31E-05 Fatty acid biosynthesis (odd-chain) +HMR_2257 (2E)-heptadecenoyl-[ACP][c] + H+[c] + NADPH[c] => heptadecanoyl-[ACP][c] + NADP+[c] 142.8570255 2.31E-05 Fatty acid biosynthesis (odd-chain) +HMR_2305 H+[c] + malonyl-CoA[c] + oleoyl-CoA[c] => 3-oxo-11-cis-eicosenoyl-CoA[c] + CO2[c] + CoA[c] 999.9991656 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2307 3-oxo-11-cis-eicosenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-11-cis-eicosenoyl-CoA[c] + NADP+[c] 999.9991656 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2309 "3(S)-hydroxy-11-cis-eicosenoyl-CoA[c] => H2O[c] + trans,cis-2,11-eicosadienoyl-CoA[c]" 999.9991656 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2311 "H+[c] + NADPH[c] + trans,cis-2,11-eicosadienoyl-CoA[c] => (11Z)-eicosenoyl-CoA[c] + NADP+[c]" 999.9991656 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2315 (11Z)-eicosenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-13cis-docosenoyl-CoA[c] + CO2[c] + CoA[c] 999.9991656 2.80E-05 Fatty acid biosynthesis (unsaturated) +HMR_2317 3-oxo-13cis-docosenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-13-cis-docosenoyl-CoA[c] + NADP+[c] 999.9991656 2.80E-05 Fatty acid biosynthesis (unsaturated) +HMR_2319 "3(S)-hydroxy-13-cis-docosenoyl-CoA[c] => H2O[c] + trans,cis-2,13-docosadienoyl-CoA[c]" 999.9991656 2.80E-05 Fatty acid biosynthesis (unsaturated) +HMR_2321 "H+[c] + NADPH[c] + trans,cis-2,13-docosadienoyl-CoA[c] => (13Z)-docosenoyl-CoA[c] + NADP+[c]" 999.9991656 2.80E-05 Fatty acid biosynthesis (unsaturated) +HMR_2324 (13Z)-docosenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-cis-15-tetracosaenoyl-CoA[c] + CO2[c] + CoA[c] 98.51079043 2.43E-05 Fatty acid biosynthesis (unsaturated) +HMR_2326 3-oxo-cis-15-tetracosaenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-cis-15-tetracosaenoyl-CoA[c] + NADP+[c] 98.51079043 2.43E-05 Fatty acid biosynthesis (unsaturated) +HMR_2328 "3(S)-hydroxy-cis-15-tetracosaenoyl-CoA[c] => H2O[c] + trans,cis-2,15-tetracosadienoyl-CoA[c]" 98.51079043 2.43E-05 Fatty acid biosynthesis (unsaturated) +HMR_2330 "H+[c] + NADPH[c] + trans,cis-2,15-tetracosadienoyl-CoA[c] => (15Z)-tetracosenoyl-CoA[c] + NADP+[c]" 98.51079043 2.43E-05 Fatty acid biosynthesis (unsaturated) +HMR_2332 (15Z)-tetracosenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-hexacosenoyl-CoA[c] + CO2[c] + CoA[c] 90.37865445 2.14E-05 Fatty acid biosynthesis (unsaturated) +HMR_2334 3-oxo-hexacosenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-hexacosenoyl-CoA[c] + NADP+[c] 90.37865445 2.14E-05 Fatty acid biosynthesis (unsaturated) +HMR_2336 "3(S)-hydroxy-hexacosenoyl-CoA[c] => H2O[c] + trans,cis-2,17-hexacosadienoyl-CoA[c]" 90.37865445 2.14E-05 Fatty acid biosynthesis (unsaturated) +HMR_2338 "H+[c] + NADPH[c] + trans,cis-2,17-hexacosadienoyl-CoA[c] => hexacosenoyl-CoA[c] + NADP+[c]" 90.37865445 2.14E-05 Fatty acid biosynthesis (unsaturated) +HMR_2342 cis-vaccenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-13-cis-eicosenoyl-CoA[c] + CO2[c] + CoA[c] 999.9991656 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2343 3-oxo-13-cis-eicosenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-13-cis-eicosenoyl-CoA[c] + NADP+[c] 999.9991656 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2344 "3(S)-hydroxy-13-cis-eicosenoyl-CoA[c] => H2O[c] + trans,cis-2,13-eicosadienoyl-CoA[c]" 999.9991656 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2345 "H+[c] + NADPH[c] + trans,cis-2,13-eicosadienoyl-CoA[c] => (13Z)-eicosenoyl-CoA[c] + NADP+[c]" 999.9991656 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2347 (7Z)-octadecenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-9-cis-eicosenoyl-CoA[c] + CO2[c] + CoA[c] 120.1288116 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2348 3-oxo-9-cis-eicosenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-9-cis-eicosenoyl-CoA[c] + NADP+[c] 120.1288116 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2349 "3(S)-hydroxy-9-cis-eicosenoyl-CoA[c] => H2O[c] + trans,cis-2,9-eicosadienoyl-CoA[c]" 120.1288116 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2350 "H+[c] + NADPH[c] + trans,cis-2,9-eicosadienoyl-CoA[c] => 9-eicosenoyl-CoA[c] + NADP+[c]" 120.1288116 3.32E-05 Fatty acid biosynthesis (unsaturated) +HMR_2353 9-eicosenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-11cis-docosenoyl-CoA[c] + CO2[c] + CoA[c] 108.2510586 2.80E-05 Fatty acid biosynthesis (unsaturated) +HMR_2354 3-oxo-11cis-docosenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-11-cis-docosenoyl-CoA[c] + NADP+[c] 108.2510586 2.80E-05 Fatty acid biosynthesis (unsaturated) +HMR_2355 "3(S)-hydroxy-11-cis-docosenoyl-CoA[c] => H2O[c] + trans,cis-2,11-docosadienoyl-CoA[c]" 108.2510586 2.80E-05 Fatty acid biosynthesis (unsaturated) +HMR_2356 "H+[c] + NADPH[c] + trans,cis-2,11-docosadienoyl-CoA[c] => (11Z)-docosenoyl-CoA[c] + NADP+[c]" 108.2510586 2.80E-05 Fatty acid biosynthesis (unsaturated) +HMR_2361 "(6Z,9Z)-octadecadienoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-eicosadienoyl-CoA[c] + CO2[c] + CoA[c]" 120.1179019 3.07E-05 Fatty acid biosynthesis (unsaturated) +HMR_2362 3-oxo-eicosadienoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-3-oxo-eicosadienoyl-CoA[c] + NADP+[c] 120.1179019 3.07E-05 Fatty acid biosynthesis (unsaturated) +HMR_2363 "3(S)-hydroxy-3-oxo-eicosadienoyl-CoA[c] => H2O[c] + trans,cis-2,8,11-eicosatrienoyl-CoA[c]" 120.1179019 3.07E-05 Fatty acid biosynthesis (unsaturated) +HMR_2364 "H+[c] + NADPH[c] + trans,cis-2,8,11-eicosatrienoyl-CoA[c] => (8Z,11Z)-eicosadienoyl-CoA[c] + NADP+[c]" 120.1179019 3.07E-05 Fatty acid biosynthesis (unsaturated) +HMR_2190 H+[c] + malonyl-CoA[c] + palmitoyl-CoA[c] => 3-oxooctadecanoyl-CoA[c] + CO2[c] + CoA[c] 999.9991656 8.30E-05 Fatty acid elongation (even-chain) +HMR_2191 3-oxooctadecanoyl-CoA[c] + H+[c] + NADPH[c] => 3-hydroxyoctadecanoyl-CoA[c] + NADP+[c] 999.9991656 8.30E-05 Fatty acid elongation (even-chain) +HMR_2193 3-hydroxyoctadecanoyl-CoA[c] => (2E)-octadecenoyl-CoA[c] + H2O[c] 999.9991656 8.30E-05 Fatty acid elongation (even-chain) +HMR_2194 (2E)-octadecenoyl-CoA[c] + H+[c] + NADPH[c] => NADP+[c] + stearoyl-CoA[c] 1000 0.000216592 Fatty acid elongation (even-chain) +HMR_2201 H+[c] + malonyl-CoA[c] + stearoyl-CoA[c] => 3-oxoeicosanoyl-CoA[c] + CO2[c] + CoA[c] 999.9991656 3.55E-05 Fatty acid elongation (even-chain) +HMR_2202 3-oxoeicosanoyl-CoA[c] + H+[c] + NADPH[c] => 3-hydroxyeicosanoyl-CoA[c] + NADP+[c] 999.9991656 3.55E-05 Fatty acid elongation (even-chain) +HMR_2203 3-hydroxyeicosanoyl-CoA[c] => (2E)-eicosenoyl-CoA[c] + H2O[c] 999.9991656 3.55E-05 Fatty acid elongation (even-chain) +HMR_2204 (2E)-eicosenoyl-CoA[c] + H+[c] + NADPH[c] => eicosanoyl-CoA[c] + NADP+[c] 999.9991656 3.55E-05 Fatty acid elongation (even-chain) +HMR_2205 eicosanoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxodocosanoyl-CoA[c] + CO2[c] + CoA[c] 999.9991656 2.97E-05 Fatty acid elongation (even-chain) +HMR_2208 3-oxodocosanoyl-CoA[c] + H+[c] + NADPH[c] => 3-hydroxydocosanoyl-CoA[c] + NADP+[c] 999.9991656 2.97E-05 Fatty acid elongation (even-chain) +HMR_2209 3-hydroxydocosanoyl-CoA[c] => (2E)-docosenoyl-CoA[c] + H2O[c] 999.9991656 2.97E-05 Fatty acid elongation (even-chain) +HMR_2210 (2E)-docosenoyl-CoA[c] + H+[c] + NADPH[c] => docosanoyl-CoA[c] + NADP+[c] 999.9991656 2.97E-05 Fatty acid elongation (even-chain) +HMR_2211 docosanoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxotetracosanoyl-CoA[c] + CO2[c] + CoA[c] 98.84688147 2.55E-05 Fatty acid elongation (even-chain) +HMR_2212 3-oxotetracosanoyl-CoA[c] + H+[c] + NADPH[c] => 3-hydroxytetracosanoyl-CoA[c] + NADP+[c] 98.84688147 2.55E-05 Fatty acid elongation (even-chain) +HMR_2213 3-hydroxytetracosanoyl-CoA[c] => (2E)-tetracosenoyl-CoA[c] + H2O[c] 98.84688147 2.55E-05 Fatty acid elongation (even-chain) +HMR_2214 (2E)-tetracosenoyl-CoA[c] + H+[c] + NADPH[c] => NADP+[c] + tetracosanoyl-CoA[c] 98.84688147 2.55E-05 Fatty acid elongation (even-chain) +HMR_2215 H+[c] + malonyl-CoA[c] + tetracosanoyl-CoA[c] => 3-oxohexacosanoyl-CoA[c] + CO2[c] + CoA[c] 999.9991656 0.000180029 Fatty acid elongation (even-chain) +HMR_2217 3-oxohexacosanoyl-CoA[c] + H+[c] + NADPH[c] => 3-hydroxyhexacosanoyl-CoA[c] + NADP+[c] 999.9991656 0.000180029 Fatty acid elongation (even-chain) +HMR_2218 3-hydroxyhexacosanoyl-CoA[c] => (2E)-hexacosenoyl-CoA[c] + H2O[c] 999.9991656 0.000180029 Fatty acid elongation (even-chain) +HMR_2219 (2E)-hexacosenoyl-CoA[c] + H+[c] + NADPH[c] => hexacosanoyl-CoA[c] + NADP+[c] 999.9991656 0.000180029 Fatty acid elongation (even-chain) +HMR_2259 H+[c] + heptadecanoyl-CoA[c] + malonyl-CoA[c] => 3-oxononadecanoyl-CoA[c] + CO2[c] + CoA[c] 999.9991656 1.49E-05 Fatty acid elongation (odd-chain) +HMR_2260 3-oxononadecanoyl-CoA[c] + H+[c] + NADPH[c] => 3-hydroxynonadecanoyl-CoA[c] + NADP+[c] 999.9991656 1.49E-05 Fatty acid elongation (odd-chain) +HMR_2261 3-hydroxynonadecanoyl-CoA[c] => (2E)-nonadecenoyl-CoA[c] + H2O[c] 999.9991656 1.49E-05 Fatty acid elongation (odd-chain) +HMR_2262 (2E)-nonadecenoyl-CoA[c] + H+[c] + NADPH[c] => NADP+[c] + nonadecanoyl-CoA[c] 999.9991656 1.49E-05 Fatty acid elongation (odd-chain) +HMR_2263 H+[c] + malonyl-CoA[c] + nonadecanoyl-CoA[c] => 3-oxoheneicosanoyl-CoA[c] + CO2[c] + CoA[c] 999.9991656 1.49E-05 Fatty acid elongation (odd-chain) +HMR_2264 3-oxoheneicosanoyl-CoA[c] + H+[c] + NADPH[c] => 3-hydroxyheneicosanoyl-CoA[c] + NADP+[c] 999.9991656 1.49E-05 Fatty acid elongation (odd-chain) +HMR_2265 3-hydroxyheneicosanoyl-CoA[c] => (2E)-heneicosenoyl-CoA[c] + H2O[c] 999.9991656 1.49E-05 Fatty acid elongation (odd-chain) +HMR_2266 (2E)-heneicosenoyl-CoA[c] + H+[c] + NADPH[c] => heneicosanoyl-CoA[c] + NADP+[c] 999.9991656 1.49E-05 Fatty acid elongation (odd-chain) +HMR_2267 H+[c] + heneicosanoyl-CoA[c] + malonyl-CoA[c] => 3-oxotricosanoyl-CoA[c] + CO2[c] + CoA[c] 99.99991656 9.97E-06 Fatty acid elongation (odd-chain) +HMR_2268 3-oxotricosanoyl-CoA[c] + H+[c] + NADPH[c] => 3-hydroxytricosanoyl-CoA[c] + NADP+[c] 99.99991656 9.97E-06 Fatty acid elongation (odd-chain) +HMR_2269 3-hydroxytricosanoyl-CoA[c] => (2E)-tricosenoyl-CoA[c] + H2O[c] 99.99991656 9.97E-06 Fatty acid elongation (odd-chain) +HMR_2270 (2E)-tricosenoyl-CoA[c] + H+[c] + NADPH[c] => NADP+[c] + tricosanoyl-CoA[c] 99.99991656 9.97E-06 Fatty acid elongation (odd-chain) +HMR_2281 H+[c] + myristoyl-CoA[c] + NADPH[c] + O2[c] => (9E)-tetradecenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 172.9361031 1.88E-05 Fatty acid desaturation (even-chain) +HMR_2282 H+[c] + myristoyl-CoA[c] + NADPH[c] + O2[c] => (7Z)-tetradecenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 173.0940055 1.88E-05 Fatty acid desaturation (even-chain) +HMR_2284 H+[c] + myristoyl-CoA[c] + NADPH[c] + O2[c] => 5-tetradecenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 173.0940055 1.88E-05 Fatty acid desaturation (even-chain) +HMR_2286 H+[c] + NADPH[c] + O2[c] + palmitoyl-CoA[c] => 2 H2O[c] + NADP+[c] + palmitoleoyl-CoA[c] 999.9961197 0.000116736 Fatty acid desaturation (even-chain) +HMR_2287 H+[c] + NADPH[c] + O2[c] + palmitoyl-CoA[c] => 7-hexadecenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 999.9960542 5.35E-05 Fatty acid desaturation (even-chain) +HMR_2292 H+[c] + NADPH[c] + O2[c] + stearoyl-CoA[c] => (13Z)-octadecenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 704.064963 4.18E-05 Fatty acid desaturation (even-chain) +HMR_2293 H+[c] + NADPH[c] + O2[c] + stearoyl-CoA[c] => cis-vaccenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 704.0645031 4.10E-05 Fatty acid desaturation (even-chain) +HMR_2294 H+[c] + NADPH[c] + O2[c] + stearoyl-CoA[c] => 2 H2O[c] + NADP+[c] + oleoyl-CoA[c] 704.064963 0.000502579 Fatty acid desaturation (even-chain) +HMR_2295 H+[c] + NADPH[c] + O2[c] + stearoyl-CoA[c] => (9E)-octadecenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 999.9960542 4.18E-05 Fatty acid desaturation (even-chain) +HMR_2296 H+[c] + NADPH[c] + O2[c] + stearoyl-CoA[c] => (7Z)-octadecenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 693.4846643 4.03E-05 Fatty acid desaturation (even-chain) +HMR_2359 "H+[c] + NADPH[c] + O2[c] + oleoyl-CoA[c] => (6Z,9Z)-octadecadienoyl-CoA[c] + 2 H2O[c] + NADP+[c]" 133.9085585 4.05E-05 Fatty acid desaturation (even-chain) +HMR_2365 "(8Z,11Z)-eicosadienoyl-CoA[c] + H+[c] + NADPH[c] + O2[c] => (5Z,8Z,11Z)-eicosatrienoyl-CoA[c] + 2 H2O[c] + NADP+[c]" 119.3299236 2.86E-05 Fatty acid desaturation (even-chain) +HMR_2288 H+[c] + heptadecanoyl-CoA[c] + NADPH[c] + O2[c] => (10Z)-heptadecenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 142.8570237 1.16E-05 Fatty acid desaturation (odd-chain) +HMR_2289 H+[c] + heptadecanoyl-CoA[c] + NADPH[c] + O2[c] => 9-heptadecenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 142.8570237 1.16E-05 Fatty acid desaturation (odd-chain) +HMR_2150 [ACP][c] + acetyl-CoA[c] => acetyl-[ACP][c] + CoA[c] 199.9998331 9.34E-05 Fatty acid biosynthesis +HMR_2151 [ACP][c] + malonyl-CoA[c] => CoA[c] + malonyl-[ACP][c] 999.9991656 0.000509397 Fatty acid biosynthesis +HMR_2172 dodecanoyl-[ACP][c] + H2O[c] => [ACP][c] + H+[c] + lauric acid[c] 199.9998331 8.57E-05 Fatty acid biosynthesis +HMR_2177 H2O[c] + tetradecanoyl-[ACP][c] => [ACP][c] + H+[c] + myristic acid[c] 166.6665276 8.63E-05 Fatty acid biosynthesis +HMR_2182 H2O[c] + hexadecanoyl-[ACP][c] => [ACP][c] + H+[c] + palmitate[c] 142.8570237 9.62E-05 Fatty acid biosynthesis +HMR_2248 H2O[c] + tridecanoyl-[ACP][c] => [ACP][c] + H+[c] + tridecylic acid[c] 199.9998343 2.63E-05 Fatty acid biosynthesis +HMR_2253 H2O[c] + pentadecanoyl-[ACP][c] => [ACP][c] + H+[c] + pentadecylic acid[c] 166.6665297 2.52E-05 Fatty acid biosynthesis +HMR_2258 H2O[c] + heptadecanoyl-[ACP][c] => [ACP][c] + H+[c] + margaric acid[c] 142.8570255 2.31E-05 Fatty acid biosynthesis +HMR_2472 "H+[c] + linolenoyl-CoA[c] + NADPH[c] + O2[c] => (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[c] + 2 H2O[c] + NADP+[c]" 999.9961958 8.28E-05 Omega-3 fatty acid metabolism +HMR_2475 "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-keto-eicosa-8,11,14,17-all-cis-tetraenoyl-CoA[c] + CO2[c] + CoA[c]" 999.999269 0.000106468 Omega-3 fatty acid metabolism +HMR_2478 "3-keto-eicosa-8,11,14,17-all-cis-tetraenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-all-cis-8,11,14,17-eicosatetraenoyl-CoA[c] + NADP+[c]" 999.999269 0.000106468 Omega-3 fatty acid metabolism +HMR_2480 "3(S)-hydroxy-all-cis-8,11,14,17-eicosatetraenoyl-CoA[c] => eicosa-(2E,8Z,11Z,14Z,17Z)-pentaenoyl-CoA[c] + H2O[c]" 999.999269 0.000106468 Omega-3 fatty acid metabolism +HMR_2482 "eicosa-(2E,8Z,11Z,14Z,17Z)-pentaenoyl-CoA[c] + H+[c] + NADPH[c] => (8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[c] + NADP+[c]" 999.999269 0.000106468 Omega-3 fatty acid metabolism +HMR_2484 "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[c] + H+[c] + NADPH[c] + O2[c] => (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[c] + 2 H2O[c] + NADP+[c]" 999.9867851 8.21E-05 Omega-3 fatty acid metabolism +HMR_2486 "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA[c] + CO2[c] + CoA[c]" 499.9939429 3.51E-05 Omega-3 fatty acid metabolism +HMR_2489 "3-oxo-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA[c] + NADP+[c]" 499.9939429 3.51E-05 Omega-3 fatty acid metabolism +HMR_2491 "3(S)-hydroxy-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA[c] => 2-trans-7,10,13,16,19-all-cis-docosahexaenoyl-CoA[c] + H2O[c]" 499.9939429 3.51E-05 Omega-3 fatty acid metabolism +HMR_2493 "2-trans-7,10,13,16,19-all-cis-docosahexaenoyl-CoA[c] + H+[c] + NADPH[c] => (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[c] + NADP+[c]" 499.9939429 3.51E-05 Omega-3 fatty acid metabolism +HMR_2497 "(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA[c] + CO2[c] + CoA[c]" 333.3330575 1.85E-05 Omega-3 fatty acid metabolism +HMR_2499 "3-oxo-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA[c] + NADP+[c]" 333.3330552 6.26E-05 Omega-3 fatty acid metabolism +HMR_2501 "3(S)-hydroxy-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA[c] => 2-trans-9,12,15,18,21-all-cis-tetracosahexaenoyl-CoA[c] + H2O[c]" 333.3330552 6.26E-05 Omega-3 fatty acid metabolism +HMR_2503 "2-trans-9,12,15,18,21-all-cis-tetracosahexaenoyl-CoA[c] + H+[c] + NADPH[c] => (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA[c] + NADP+[c]" 333.3330552 6.26E-05 Omega-3 fatty acid metabolism +HMR_2505 "(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA[c] + H+[c] + NADH[c] + O2[c] => (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA[c] + 2 H2O[c] + NAD+[c]" 333.3292821 5.44E-05 Omega-3 fatty acid metabolism +HMR_2510 "(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA[p] + O2[p] => delta2-THA-CoA[p] + H2O2[p]" 124.9999986 1.64E-08 Omega-3 fatty acid metabolism +HMR_2511 delta2-THA-CoA[p] + H2O[p] => 3-hydroxy-THA-CoA[p] 124.9999986 1.64E-08 Omega-3 fatty acid metabolism +HMR_2512 3-hydroxy-THA-CoA[p] + NAD+[p] => 3-keto-THA-CoA[p] + H+[p] + NADH[p] 124.9999986 1.64E-08 Omega-3 fatty acid metabolism +HMR_2513 "3-keto-THA-CoA[p] + CoA[p] => (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[p] + acetyl-CoA[p]" 124.9999986 1.64E-08 Omega-3 fatty acid metabolism +HMR_2515 "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-docosa-10,13,16,19-all-cis-tetraenoyl-CoA[c] + CO2[c] + CoA[c]" 499.9995975 2.42E-05 Omega-3 fatty acid metabolism +HMR_2516 "3-oxo-docosa-10,13,16,19-all-cis-tetraenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-docosa-10,13,16,19-all-cis-tetraenoyl-CoA[c] + NADP+[c]" 499.9995975 2.42E-05 Omega-3 fatty acid metabolism +HMR_2518 "3(S)-hydroxy-docosa-10,13,16,19-all-cis-tetraenoyl-CoA[c] => H2O[c] + trans,cis,cis,cis,cis-2,10,13,16,19-docosapentaenoyl-CoA[c]" 499.9995975 2.42E-05 Omega-3 fatty acid metabolism +HMR_2520 "H+[c] + NADPH[c] + trans,cis,cis,cis,cis-2,10,13,16,19-docosapentaenoyl-CoA[c] => 10,13,16,19-docosatetraenoyl-CoA[c] + NADP+[c]" 499.9995975 2.42E-05 Omega-3 fatty acid metabolism +HMR_2522 "10,13,16,19-docosatetraenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA[c] + CO2[c] + CoA[c]" 333.3330878 2.42E-05 Omega-3 fatty acid metabolism +HMR_2524 "3-oxo-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA[c] + NADP+[c]" 333.3330878 2.42E-05 Omega-3 fatty acid metabolism +HMR_2526 "3(S)-hydroxy-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA[c] => H2O[c] + trans,cis,cis,cis,cis-2,12,15,18,21-tetracosapentaenoyl-CoA[c]" 333.3330552 6.57E-05 Omega-3 fatty acid metabolism +HMR_2528 "H+[c] + NADPH[c] + trans,cis,cis,cis,cis-2,12,15,18,21-tetracosapentaenoyl-CoA[c] => 12,15,18,21-tetracosatetraenoyl-CoA[c] + NADP+[c]" 333.3330552 6.57E-05 Omega-3 fatty acid metabolism +HMR_2530 "H+[c] + linolenoyl-CoA[c] + malonyl-CoA[c] => 3-oxoeicosa-cis,cis,cis-11,14,17-trienoyl-CoA[c] + CO2[c] + CoA[c]" 999.9984229 2.11E-05 Omega-3 fatty acid metabolism +HMR_2533 "3-oxoeicosa-cis,cis,cis-11,14,17-trienoyl-CoA[c] + H+[c] + NADPH[c] => (3S)-hydroxy-eicosa-cis,cis,cis-11,14,17-trienoyl-CoA[c] + NADP+[c]" 999.9984229 2.11E-05 Omega-3 fatty acid metabolism +HMR_2535 "(3S)-hydroxy-eicosa-cis,cis,cis-11,14,17-trienoyl-CoA[c] => H2O[c] + trans,cis,cis,cis-2,11,14,17-eicosatetraenoyl-CoA[c]" 999.9984229 2.11E-05 Omega-3 fatty acid metabolism +HMR_2537 "H+[c] + NADPH[c] + trans,cis,cis,cis-2,11,14,17-eicosatetraenoyl-CoA[c] => (11Z,14Z,17Z)-eicosatrienoyl-CoA[c] + NADP+[c]" 999.9984229 2.11E-05 Omega-3 fatty acid metabolism +HMR_2540 "(11Z,14Z,17Z)-eicosatrienoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-docosa-13,16,19-all-cis-trienoyl-CoA[c] + CO2[c] + CoA[c]" 499.9995828 1.89E-05 Omega-3 fatty acid metabolism +HMR_2541 "3-oxo-docosa-13,16,19-all-cis-trienoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-docosa-13,16,19-all-cis-trienoyl-CoA[c] + NADP+[c]" 499.9995828 1.89E-05 Omega-3 fatty acid metabolism +HMR_2542 "3(S)-hydroxy-docosa-13,16,19-all-cis-trienoyl-CoA[c] => H2O[c] + trans,cis,cis,cis-2,13,16,19-docosatetraenoyl-CoA[c]" 499.9995828 1.89E-05 Omega-3 fatty acid metabolism +HMR_2543 "H+[c] + NADPH[c] + trans,cis,cis,cis-2,13,16,19-docosatetraenoyl-CoA[c] => 13,16,19-docosatrienoyl-CoA[c] + NADP+[c]" 499.9995828 1.89E-05 Omega-3 fatty acid metabolism +HMR_2544 EPA[c] + O2[c] => 5(S)-HpEPE[c] 333.3320181 4.75E-06 Omega-3 fatty acid metabolism +HMR_2581 EPA[c] + H+[c] + NADPH[c] + 2 O2[c] => H2O[c] + NADP+[c] + PGH3[c] 249.9990135 2.08E-05 Omega-3 fatty acid metabolism +HMR_2583 PGH3[c] <=> prostaglandin E3[c] 249.9990135 2.08E-05 Omega-3 fatty acid metabolism +HMR_2368 H+[c] + linoleoyl-CoA[c] + NADPH[c] + O2[c] => gamma-linolenoyl-CoA[c] + 2 H2O[c] + NADP+[c] 999.9960542 0.000845486 Omega-6 fatty acid metabolism +HMR_2371 gamma-linolenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-dihomo-gamma-linolenoyl-CoA[c] + CO2[c] + CoA[c] 999.9996511 0.00028527 Omega-6 fatty acid metabolism +HMR_2374 3-oxo-dihomo-gamma-linolenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-dihomo-gamma-linolenoyl-CoA[c] + NADP+[c] 999.9996511 0.00028527 Omega-6 fatty acid metabolism +HMR_2376 "3(S)-hydroxy-dihomo-gamma-linolenoyl-CoA[c] => H2O[c] + trans-2-cis,cis,cis-8,11,14-eicosatetraenoyl-CoA[c]" 999.9996511 0.00028527 Omega-6 fatty acid metabolism +HMR_2378 "H+[c] + NADPH[c] + trans-2-cis,cis,cis-8,11,14-eicosatetraenoyl-CoA[c] => dihomo-gamma-linolenoyl-CoA[c] + NADP+[c]" 999.9996511 0.00028527 Omega-6 fatty acid metabolism +HMR_2380 dihomo-gamma-linolenoyl-CoA[c] + H+[c] + NADPH[c] + O2[c] => arachidonyl-CoA[c] + 2 H2O[c] + NADP+[c] 999.9902696 0.000660058 Omega-6 fatty acid metabolism +HMR_2395 "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA[c] + CO2[c] + CoA[c]" 333.3330878 9.97E-05 Omega-6 fatty acid metabolism +HMR_2397 "3-oxo-tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA[c] + NADP+[c]" 333.3330878 9.97E-05 Omega-6 fatty acid metabolism +HMR_2399 "3(S)-hydroxy-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA[c] => 2-trans-9,12,15,18-all-cis-tetracosapentaenoyl-CoA[c] + H2O[c]" 333.3330731 9.35E-05 Omega-6 fatty acid metabolism +HMR_2401 "2-trans-9,12,15,18-all-cis-tetracosapentaenoyl-CoA[c] + H+[c] + NADPH[c] => (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA[c] + NADP+[c]" 333.3330731 9.35E-05 Omega-6 fatty acid metabolism +HMR_2403 "(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA[c] + H+[c] + NADPH[c] + O2[c] => (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA[c] + 2 H2O[c] + NADP+[c]" 333.3330731 9.35E-05 Omega-6 fatty acid metabolism +HMR_2408 "(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA[p] + O2[p] => H2O2[p] + trans-2-all-cis-6,9,12,15,18-tetracosahexaenoyl-CoA[p]" 333.3330843 1.75E-08 Omega-6 fatty acid metabolism +HMR_2409 "H2O[p] + trans-2-all-cis-6,9,12,15,18-tetracosahexaenoyl-CoA[p] => 3(S)-hydroxy-tetracosa-6,9,12,15,18-all-cis-pentaenoyl-CoA[p]" 333.3330843 1.75E-08 Omega-6 fatty acid metabolism +HMR_2410 "3(S)-hydroxy-tetracosa-6,9,12,15,18-all-cis-pentaenoyl-CoA[p] + NAD+[p] => 3-oxo-all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA[p] + H+[p] + NADH[p]" 333.3330843 1.75E-08 Omega-6 fatty acid metabolism +HMR_2411 "3-oxo-all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA[p] + CoA[p] => (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[p] + acetyl-CoA[p]" 333.3330843 1.73E-08 Omega-6 fatty acid metabolism +HMR_2415 "dihomo-gamma-linolenoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxo-docosa-cis,cis,cis-10,13,16-trienoyl-CoA[c] + CO2[c] + CoA[c]" 499.9995828 8.60E-05 Omega-6 fatty acid metabolism +HMR_2417 "3-oxo-docosa-cis,cis,cis-10,13,16-trienoyl-CoA[c] + H+[c] + NADPH[c] => 3(S)-hydroxy-10,13,16-all-cis-docosatrienoyl-CoA[c] + NADP+[c]" 499.9995828 8.60E-05 Omega-6 fatty acid metabolism +HMR_2419 "3(S)-hydroxy-10,13,16-all-cis-docosatrienoyl-CoA[c] => H2O[c] + trans,cis,cis,cis-2,10,13,16-docosatetraenoyl-CoA[c]" 499.9995828 8.60E-05 Omega-6 fatty acid metabolism +HMR_2421 "H+[c] + NADPH[c] + trans,cis,cis,cis-2,10,13,16-docosatetraenoyl-CoA[c] => 10,13,16-docosatrienoyl-CoA[c] + NADP+[c]" 499.9995828 8.60E-05 Omega-6 fatty acid metabolism +HMR_2423 "H+[c] + linoleoyl-CoA[c] + malonyl-CoA[c] => 3-oxoeicosa-cis,cis-11,14-dienoyl-CoA[c] + CO2[c] + CoA[c]" 999.9991656 0.000137226 Omega-6 fatty acid metabolism +HMR_2426 "3-oxoeicosa-cis,cis-11,14-dienoyl-CoA[c] + H+[c] + NADPH[c] => (3S)-hydroxy-eicosa-cis,cis-11,14-dienoyl-CoA[c] + NADP+[c]" 999.9991656 0.000137226 Omega-6 fatty acid metabolism +HMR_2428 "(3S)-hydroxy-eicosa-cis,cis-11,14-dienoyl-CoA[c] => H2O[c] + trans,cis,cis-2,11,14-eicosatrienoyl-CoA[c]" 999.9991656 0.000137226 Omega-6 fatty acid metabolism +HMR_2430 "H+[c] + NADPH[c] + trans,cis,cis-2,11,14-eicosatrienoyl-CoA[c] => (11Z,14Z)-eicosadienoyl-CoA[c] + NADP+[c]" 999.9991656 0.000137226 Omega-6 fatty acid metabolism +HMR_2433 "(11Z,14Z)-eicosadienoyl-CoA[c] + H+[c] + malonyl-CoA[c] => 3-oxodocasa-cis,cis-13,16-dienoyl-CoA[c] + CO2[c] + CoA[c]" 499.9995828 7.81E-05 Omega-6 fatty acid metabolism +HMR_2434 "3-oxodocasa-cis,cis-13,16-dienoyl-CoA[c] + H+[c] + NADPH[c] => (3S)-hydroxy-docasa-cis,cis-13,16-dienoyl-CoA[c] + NADP+[c]" 499.9995828 7.81E-05 Omega-6 fatty acid metabolism +HMR_2435 "(3S)-hydroxy-docasa-cis,cis-13,16-dienoyl-CoA[c] => H2O[c] + trans,cis,cis-2,13,16-docasatrienoyl-CoA[c]" 499.9995828 7.81E-05 Omega-6 fatty acid metabolism +HMR_2436 "H+[c] + NADPH[c] + trans,cis,cis-2,13,16-docasatrienoyl-CoA[c] => (13Z,16Z)-docosadienoyl-CoA[c] + NADP+[c]" 499.9995828 7.81E-05 Omega-6 fatty acid metabolism +HMR_3452 "FAD[m] + gamma-linolenoyl-CoA[m] => (2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA[m] + FADH2[m]" 333.7773599 2.70E-05 Omega-6 fatty acid metabolism +HMR_3453 "(2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA[m] + H2O[m] => 3(S)-hydroxy-(6Z,9Z,12Z)-octadecatrienoyl-CoA[m]" 333.7773599 2.70E-05 Omega-6 fatty acid metabolism +HMR_3456 "(4Z,7Z,10Z)-hexadecatrienoyl-CoA[m] + O2[m] => (2E,4Z,7Z,10Z)-hexadecatetraenoyl-CoA[m] + H2O2[m]" 333.7773599 2.70E-05 Omega-6 fatty acid metabolism +HMR_3457 "(2E,4Z,7Z,10Z)-hexadecatetraenoyl-CoA[m] + H+[m] + NADPH[m] <=> (3Z,7Z,10Z)-hexadecatrienoyl-CoA[m] + NADP+[m]" 333.7773599 2.70E-05 Omega-6 fatty acid metabolism +HMR_3458 "(3Z,7Z,10Z)-hexadecatrienoyl-CoA[m] => trans,cis,cis-2,7,10-hexadecatrienoyl-CoA[m]" 333.7773599 2.70E-05 Omega-6 fatty acid metabolism +HMR_0934 arachidonate[c] + H+[c] + NADPH[c] + O2[c] => 10-HETE[c] + H2O[c] + NADP+[c] 499.9980271 0.000124878 Arachidonic acid metabolism +HMR_1232 "10,11-dihydro-12-oxo-LTB4[m] + H+[m] + NADPH[m] => 10,11-dihydro-LTB4[m] + NADP+[m]" 1000 2.42E-05 Leukotriene metabolism +HMR_1233 "10,11-dihydro-12-oxo-LTB4[p] + H+[p] + NADPH[p] => 10,11-dihydro-LTB4[p] + NADP+[p]" 1000 2.42E-05 Leukotriene metabolism +HMR_1264 "10,11-dihydro-LTB4-CoA[m] + AMP[m] + PPi[m] <=> 10,11-dihydro-LTB4[m] + ATP[m] + CoA[m]" 1000 2.42E-05 Leukotriene metabolism +HMR_1266 "10,11-dihydro-LTB4-CoA[p] + AMP[p] + PPi[p] <=> 10,11-dihydro-LTB4[p] + ATP[p] + CoA[p]" 1000 2.42E-05 Leukotriene metabolism +HMR_1281 "10,11-dihydro-12-epi-LTB4[m] + NADP+[m] <=> 10,11-dihydro-12-oxo-LTB4[m] + H+[m] + NADPH[m]" 1000 2.42E-05 Leukotriene metabolism +HMR_1282 "10,11-dihydro-12-epi-LTB4[p] + NADP+[p] <=> 10,11-dihydro-12-oxo-LTB4[p] + H+[p] + NADPH[p]" 1000 2.42E-05 Leukotriene metabolism +HMR_8557 arachidonate[c] + H+[c] + NADPH[c] + 2 O2[c] => H2O[c] + NADP+[c] + prostaglandin H2[c] 333.3320181 0.000126019 Eicosanoid metabolism +HMR_8558 arachidonate[r] + H+[r] + NADPH[r] + 2 O2[r] => H2O[r] + NADP+[r] + prostaglandin H2[r] 199.9993319 1.77E-05 Eicosanoid metabolism +HMR_0154 H2O[c] + propanoyl-CoA[c] => CoA[c] + H+[c] + propanoate[c] 1000 0.001655204 Acyl-CoA hydrolysis +HMR_0189 H2O[c] + lauroyl-CoA[c] => CoA[c] + H+[c] + lauric acid[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0193 H2O[c] + tridecanoyl-CoA[c] => CoA[c] + H+[c] + tridecylic acid[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0197 H2O[c] + myristoyl-CoA[c] => CoA[c] + H+[c] + myristic acid[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0201 (9E)-tetradecenoyl-CoA[c] + H2O[c] => (9E)-tetradecenoic acid[c] + CoA[c] + H+[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0206 (7Z)-tetradecenoyl-CoA[c] + H2O[c] => (7Z)-tetradecenoic acid[c] + CoA[c] + H+[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0210 5-tetradecenoyl-CoA[c] + H2O[c] => CoA[c] + H+[c] + physeteric acid[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0214 H2O[c] + pentadecanoyl-CoA[c] => CoA[c] + H+[c] + pentadecylic acid[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0223 H2O[c] + palmitoyl-CoA[c] => CoA[c] + H+[c] + palmitate[c] 1000 4.82E-05 Acyl-CoA hydrolysis +HMR_0230 H2O[c] + palmitoleoyl-CoA[c] => CoA[c] + H+[c] + palmitolate[c] 1000 5.18E-05 Acyl-CoA hydrolysis +HMR_0234 7-hexadecenoyl-CoA[c] + H2O[c] => 7-palmitoleic acid[c] + CoA[c] + H+[c] 1000 5.18E-05 Acyl-CoA hydrolysis +HMR_0238 H2O[c] + heptadecanoyl-CoA[c] => CoA[c] + H+[c] + margaric acid[c] 999.9999929 2.41E-05 Acyl-CoA hydrolysis +HMR_0242 (10Z)-heptadecenoyl-CoA[c] + H2O[c] => (10Z)-heptadecenoic acid[c] + CoA[c] + H+[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0246 9-heptadecenoyl-CoA[c] + H2O[c] => 9-heptadecylenic acid[c] + CoA[c] + H+[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0250 H2O[c] + stearoyl-CoA[c] => CoA[c] + H+[c] + stearate[c] 1000 2.65E-05 Acyl-CoA hydrolysis +HMR_0256 (13Z)-octadecenoyl-CoA[c] + H2O[c] => (13Z)-octadecenoic acid[c] + CoA[c] + H+[c] 1000 4.03E-05 Acyl-CoA hydrolysis +HMR_0260 cis-vaccenoyl-CoA[c] + H2O[c] => cis-vaccenic acid[c] + CoA[c] + H+[c] 1000 4.06E-05 Acyl-CoA hydrolysis +HMR_0264 H2O[c] + oleoyl-CoA[c] => CoA[c] + H+[c] + oleate[c] 1000 0.000501336 Acyl-CoA hydrolysis +HMR_0268 (9E)-octadecenoyl-CoA[c] + H2O[c] => CoA[c] + elaidate[c] + H+[c] 1000 4.03E-05 Acyl-CoA hydrolysis +HMR_0272 (7Z)-octadecenoyl-CoA[c] + H2O[c] => (7Z)-octadecenoic acid[c] + CoA[c] + H+[c] 693.4846643 4.03E-05 Acyl-CoA hydrolysis +HMR_0276 "(6Z,9Z)-octadecadienoyl-CoA[c] + H2O[c] => (6Z,9Z)-octadecadienoic acid[c] + CoA[c] + H+[c]" 1000 3.67E-05 Acyl-CoA hydrolysis +HMR_0280 H2O[c] + nonadecanoyl-CoA[c] => CoA[c] + H+[c] + nonadecylic acid[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0284 eicosanoyl-CoA[c] + H2O[c] => CoA[c] + eicosanoate[c] + H+[c] 1000 3.52E-05 Acyl-CoA hydrolysis +HMR_0290 (13Z)-eicosenoyl-CoA[c] + H2O[c] => (13Z)-eicosenoic acid[c] + CoA[c] + H+[c] 1000 3.29E-05 Acyl-CoA hydrolysis +HMR_0294 (11Z)-eicosenoyl-CoA[c] + H2O[c] => cis-gondoic acid[c] + CoA[c] + H+[c] 1000 3.29E-05 Acyl-CoA hydrolysis +HMR_0298 9-eicosenoyl-CoA[c] + H2O[c] => 9-eicosenoic acid[c] + CoA[c] + H+[c] 1000 3.29E-05 Acyl-CoA hydrolysis +HMR_0302 "(8Z,11Z)-eicosadienoyl-CoA[c] + H2O[c] => 8,11-eicosadienoic acid[c] + CoA[c] + H+[c]" 1000 3.05E-05 Acyl-CoA hydrolysis +HMR_0306 "(5Z,8Z,11Z)-eicosatrienoyl-CoA[c] + H2O[c] => CoA[c] + H+[c] + mead acid[c]" 1000 2.84E-05 Acyl-CoA hydrolysis +HMR_0310 H2O[c] + heneicosanoyl-CoA[c] => CoA[c] + H+[c] + henicosanoic acid[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0314 docosanoyl-CoA[c] + H2O[c] => behenic acid[c] + CoA[c] + H+[c] 1000 2.95E-05 Acyl-CoA hydrolysis +HMR_0320 (13Z)-docosenoyl-CoA[c] + H2O[c] => cis-erucic acid[c] + CoA[c] + H+[c] 1000 2.79E-05 Acyl-CoA hydrolysis +HMR_0324 (11Z)-docosenoyl-CoA[c] + H2O[c] => cis-cetoleic acid[c] + CoA[c] + H+[c] 1000 2.79E-05 Acyl-CoA hydrolysis +HMR_0328 H2O[c] + tricosanoyl-CoA[c] => CoA[c] + H+[c] + tricosanoic acid[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0332 H2O[c] + tetracosanoyl-CoA[c] => CoA[c] + H+[c] + lignocerate[c] 1000 0.000502002 Acyl-CoA hydrolysis +HMR_0338 (15Z)-tetracosenoyl-CoA[c] + H2O[c] => CoA[c] + H+[c] + nervonic acid[c] 1000 2.42E-05 Acyl-CoA hydrolysis +HMR_0342 H2O[c] + hexacosanoyl-CoA[c] => cerotic acid[c] + CoA[c] + H+[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0346 H2O[c] + hexacosenoyl-CoA[c] => CoA[c] + H+[c] + ximenic acid[c] 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0350 H2O[c] + linolenoyl-CoA[c] => CoA[c] + H+[c] + linolenate[c] 999.999973 2.41E-05 Acyl-CoA hydrolysis +HMR_0354 "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[c] + H2O[c] => CoA[c] + H+[c] + stearidonic acid[c]" 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0358 "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[c] + H2O[c] => CoA[c] + H+[c] + omega-3-arachidonic acid[c]" 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0362 "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[c] + H2O[c] => CoA[c] + EPA[c] + H+[c]" 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0366 "(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[c] + H2O[c] => CoA[c] + DPA[c] + H+[c]" 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0370 "(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA[c] + H2O[c] => (9Z,12Z,15Z,18Z,21Z)-TPA[c] + CoA[c] + H+[c]" 1000 6.17E-05 Acyl-CoA hydrolysis +HMR_0374 "(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA[c] + H2O[c] => (6Z,9Z,12Z,15Z,18Z,21Z)-THA[c] + CoA[c] + H+[c]" 1000 5.37E-05 Acyl-CoA hydrolysis +HMR_0378 "(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[c] + H2O[c] => CoA[c] + DHA[c] + H+[c]" 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0382 "(11Z,14Z,17Z)-eicosatrienoyl-CoA[c] + H2O[c] => (11Z,14Z,17Z)-eicosatrienoic acid[c] + CoA[c] + H+[c]" 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0386 "13,16,19-docosatrienoyl-CoA[c] + H2O[c] => 13,16,19-docosatrienoic acid[c] + CoA[c] + H+[c]" 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0390 "10,13,16,19-docosatetraenoyl-CoA[c] + H2O[c] => 10,13,16,19-docosatetraenoic acid[c] + CoA[c] + H+[c]" 1000 2.41E-05 Acyl-CoA hydrolysis +HMR_0394 "12,15,18,21-tetracosatetraenoyl-CoA[c] + H2O[c] => 12,15,18,21-tetracosatetraenoic acid[c] + CoA[c] + H+[c]" 1000 6.17E-05 Acyl-CoA hydrolysis +HMR_0398 H2O[c] + linoleoyl-CoA[c] => CoA[c] + H+[c] + linoleate[c] 1000 0.000501336 Acyl-CoA hydrolysis +HMR_0402 gamma-linolenoyl-CoA[c] + H2O[c] => CoA[c] + gamma-linolenate[c] + H+[c] 1000 0.000226287 Acyl-CoA hydrolysis +HMR_0406 dihomo-gamma-linolenoyl-CoA[c] + H2O[c] => CoA[c] + dihomo-gamma-linolenate[c] + H+[c] 1000 0.000157847 Acyl-CoA hydrolysis +HMR_0410 arachidonyl-CoA[c] + H2O[c] => arachidonate[c] + CoA[c] + H+[c] 1000 0.00071564 Acyl-CoA hydrolysis +HMR_0414 "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[c] + H2O[c] => adrenic acid[c] + CoA[c] + H+[c]" 1000 9.37E-05 Acyl-CoA hydrolysis +HMR_0418 "(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA[c] + H2O[c] => (9Z,12Z,15Z,18Z)-TTA[c] + CoA[c] + H+[c]" 1000 6.17E-05 Acyl-CoA hydrolysis +HMR_0422 "(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA[c] + H2O[c] => (6Z,9Z,12Z,15Z,18Z)-TPA[c] + CoA[c] + H+[c]" 1000 6.18E-05 Acyl-CoA hydrolysis +HMR_0426 "(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[c] + H2O[c] => (4Z,7Z,10Z,13Z,16Z)-DPA[c] + CoA[c] + H+[c]" 1000 6.16E-05 Acyl-CoA hydrolysis +HMR_0430 "(11Z,14Z)-eicosadienoyl-CoA[c] + H2O[c] => (11Z,14Z)-eicosadienoic acid[c] + CoA[c] + H+[c]" 1000 0.000133076 Acyl-CoA hydrolysis +HMR_0434 "(13Z,16Z)-docosadienoyl-CoA[c] + H2O[c] => (13Z,16Z)-docosadienoic acid[c] + CoA[c] + H+[c]" 1000 7.67E-05 Acyl-CoA hydrolysis +HMR_0438 "10,13,16-docosatrienoyl-CoA[c] + H2O[c] => 10,13,16-docosatriynoic acid[c] + CoA[c] + H+[c]" 1000 8.44E-05 Acyl-CoA hydrolysis +HMR_0159 butyryl-CoA[c] + L-carnitine[c] <=> CoA[c] + O-butanoylcarnitine[c] 2000 6.58E-05 Carnitine shuttle (cytosolic) +HMR_2591 CoA[c] + O-acetylcarnitine[c] <=> acetyl-CoA[c] + L-carnitine[c] 2000 6.59E-05 Carnitine shuttle (cytosolic) +HMR_2594 CoA[c] + O-propanoylcarnitine[c] <=> L-carnitine[c] + propanoyl-CoA[c] 999.9999906 3.31E-05 Carnitine shuttle (cytosolic) +HMR_2599 CoA[c] + malonyl-carnitin[c] <=> L-carnitine[c] + malonyl-CoA[c] 999.9991656 3.12E-05 Carnitine shuttle (cytosolic) +HMR_2602 CoA[c] + dodecanoylcarnitine[c] <=> lauroyl-CoA[c] + L-carnitine[c] 373.4773203 3.12E-05 Carnitine shuttle (cytosolic) +HMR_2605 CoA[c] + tridecanoylcarnitine[c] <=> L-carnitine[c] + tridecanoyl-CoA[c] 366.6663617 1.63E-05 Carnitine shuttle (cytosolic) +HMR_2608 CoA[c] + tetradecanoylcarnitine[c] <=> L-carnitine[c] + myristoyl-CoA[c] 2000 7.11E-05 Carnitine shuttle (cytosolic) +HMR_2611 (9E)-tetradecenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + tetradecenoylcarnitine(5)[c] 171.2319217 1.12E-05 Carnitine shuttle (cytosolic) +HMR_2614 (7Z)-tetradecenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + tetradecenoylcarnitine(7)[c] 324.2285681 2.49E-05 Carnitine shuttle (cytosolic) +HMR_2620 5-tetradecenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + tetradecenoylcarnitine(9)[c] 324.5961501 2.49E-05 Carnitine shuttle (cytosolic) +HMR_2623 CoA[c] + pentadecanoylcarnitine[c] <=> L-carnitine[c] + pentadecanoyl-CoA[c] 309.5235532 1.67E-05 Carnitine shuttle (cytosolic) +HMR_2626 CoA[c] + L-palmitoylcarnitine[c] <=> L-carnitine[c] + palmitoyl-CoA[c] 1142.856267 5.40E-05 Carnitine shuttle (cytosolic) +HMR_2633 7-hexadecenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + hexadecenoylcarnitine(9)[c] 1151.56593 3.36E-05 Carnitine shuttle (cytosolic) +HMR_2636 CoA[c] + palmitoleoyl-carnitine[c] <=> L-carnitine[c] + palmitoleoyl-CoA[c] 1150.756787 3.57E-05 Carnitine shuttle (cytosolic) +HMR_2642 CoA[c] + heptadecanoylcarnitine[c] <=> heptadecanoyl-CoA[c] + L-carnitine[c] 1142.856191 2.45E-05 Carnitine shuttle (cytosolic) +HMR_2648 (10Z)-heptadecenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + heptadecenoylcarnitine(7)[c] 142.8570237 8.38E-06 Carnitine shuttle (cytosolic) +HMR_2651 9-heptadecenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + heptadecenoylcarnitine(8)[c] 142.8570237 8.38E-06 Carnitine shuttle (cytosolic) +HMR_2654 CoA[c] + stearoylcarnitine[c] <=> L-carnitine[c] + stearoyl-CoA[c] 1999.999017 5.56E-05 Carnitine shuttle (cytosolic) +HMR_2657 (13Z)-octadecenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + octadecenoylcarnitine(5)[c] 838.9993304 2.95E-05 Carnitine shuttle (cytosolic) +HMR_2660 CoA[c] + octadecenoylcarnitine(7)[c] <=> cis-vaccenoyl-CoA[c] + L-carnitine[c] 1690.113818 3.34E-05 Carnitine shuttle (cytosolic) +HMR_2663 CoA[c] + L-oleoylcarnitine[c] <=> L-carnitine[c] + oleoyl-CoA[c] 2000 3.41E-05 Carnitine shuttle (cytosolic) +HMR_2666 (9E)-octadecenoyl-CoA[c] + L-carnitine[c] <=> (9E)-octadecenoylcarnitine[c] + CoA[c] 2000 3.05E-05 Carnitine shuttle (cytosolic) +HMR_2669 (7Z)-octadecenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + octadecenoylcarnitine(11)[c] 132.0865065 1.73E-05 Carnitine shuttle (cytosolic) +HMR_2672 "(6Z,9Z)-octadecadienoyl-CoA[c] + L-carnitine[c] <=> (6Z,9Z)-octadecadienoylcarnitine[c] + CoA[c]" 134.8358085 1.70E-05 Carnitine shuttle (cytosolic) +HMR_2675 CoA[c] + nonadecanoylcarnitine[c] <=> L-carnitine[c] + nonadecanoyl-CoA[c] 1999.998331 2.99E-05 Carnitine shuttle (cytosolic) +HMR_2678 CoA[c] + eicosanoylcarnitine[c] <=> eicosanoyl-CoA[c] + L-carnitine[c] 1999.998331 3.69E-05 Carnitine shuttle (cytosolic) +HMR_2681 (13Z)-eicosenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + eicosenoylcarnitine(7)[c] 999.9991656 1.67E-05 Carnitine shuttle (cytosolic) +HMR_2684 (11Z)-eicosenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + eicosenoylcarnitine(9)[c] 1999.998331 3.22E-05 Carnitine shuttle (cytosolic) +HMR_2687 9-eicosenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + eicosenoylcarnitine(11)[c] 117.5216181 1.57E-05 Carnitine shuttle (cytosolic) +HMR_2690 "(8Z,11Z)-eicosadienoyl-CoA[c] + L-carnitine[c] <=> (8Z,11Z)-eicosadienoylcarnitine[c] + CoA[c]" 118.1755436 1.52E-05 Carnitine shuttle (cytosolic) +HMR_2693 "(5Z,8Z,11Z)-eicosatrienoyl-CoA[c] + L-carnitine[c] <=> (5Z,8Z,11Z)-eicosatrienoylcarnitine[c] + CoA[c]" 117.4081515 1.48E-05 Carnitine shuttle (cytosolic) +HMR_2699 CoA[c] + heneicosanoylcarnitine[c] <=> heneicosanoyl-CoA[c] + L-carnitine[c] 999.9991656 1.49E-05 Carnitine shuttle (cytosolic) +HMR_2702 CoA[c] + docosanoylcarnitine[c] <=> docosanoyl-CoA[c] + L-carnitine[c] 999.9991656 1.99E-05 Carnitine shuttle (cytosolic) +HMR_2705 (13Z)-docosenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + docosenoylcarnitine[c] 999.9991656 1.62E-05 Carnitine shuttle (cytosolic) +HMR_2708 (11Z)-docosenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + docosenoylcarnitine(11)[c] 105.8497943 1.43E-05 Carnitine shuttle (cytosolic) +HMR_2711 CoA[c] + octadecatrienoylcarnitine[c] <=> L-carnitine[c] + linolenoyl-CoA[c] 2000 2.53E-05 Carnitine shuttle (cytosolic) +HMR_2714 "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[c] + L-carnitine[c] <=> (6Z,9Z,12Z,15Z)-octadecatetraenoylcarnitine[c] + CoA[c]" 1341.571204 6.34E-05 Carnitine shuttle (cytosolic) +HMR_2717 "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[c] + L-carnitine[c] <=> (8Z,11Z,14Z,17Z)-eicosatetraenoylcarnitine[c] + CoA[c]" 999.9991656 3.17E-05 Carnitine shuttle (cytosolic) +HMR_2720 "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[c] + L-carnitine[c] <=> (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoylcarnitine[c] + CoA[c]" 1333.31721 6.62E-05 Carnitine shuttle (cytosolic) +HMR_2726 "(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[c] + L-carnitine[c] <=> (7Z,10Z,13Z,16Z,19Z)-docosapentaenoylcarnitine[c] + CoA[c]" 181.8181817 1.21E-05 Carnitine shuttle (cytosolic) +HMR_2730 "(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + docosahexaenoylcarnitine[c]" 186.0457775 7.44E-06 Carnitine shuttle (cytosolic) +HMR_2733 "(11Z,14Z,17Z)-eicosatrienoyl-CoA[c] + L-carnitine[c] <=> (11Z,14Z,17Z)-eicosatrienoylcarnitine[c] + CoA[c]" 194.4444444 1.25E-05 Carnitine shuttle (cytosolic) +HMR_2736 "13,16,19-docosatrienoyl-CoA[c] + L-carnitine[c] <=> 13,16,19-docosatrienoylcarnitine[c] + CoA[c]" 166.6666666 1.16E-05 Carnitine shuttle (cytosolic) +HMR_2739 "10,13,16,19-docosatetraenoyl-CoA[c] + L-carnitine[c] <=> 10,13,16,19-docosatetraenoylcarnitine[c] + CoA[c]" 181.8181817 1.19E-05 Carnitine shuttle (cytosolic) +HMR_2742 CoA[c] + linoleic-carnitine[c] <=> L-carnitine[c] + linoleoyl-CoA[c] 336.367491 2.97E-05 Carnitine shuttle (cytosolic) +HMR_2746 CoA[c] + gamma-linolenoylcarnitine[c] <=> gamma-linolenoyl-CoA[c] + L-carnitine[c] 1320.297538 4.47E-05 Carnitine shuttle (cytosolic) +HMR_2752 CoA[c] + eicosatrienoylcarnitine[c] <=> dihomo-gamma-linolenoyl-CoA[c] + L-carnitine[c] 999.9991656 2.70E-05 Carnitine shuttle (cytosolic) +HMR_2755 arachidonyl-carnitine[c] + CoA[c] <=> arachidonyl-CoA[c] + L-carnitine[c] 986.5421443 0.000129919 Carnitine shuttle (cytosolic) +HMR_2759 "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + ocosatetraenoylcarnitine[c]" 690.1146092 0.000108583 Carnitine shuttle (cytosolic) +HMR_2762 "(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[c] + L-carnitine[c] <=> (4Z,7Z,10Z,13Z,16Z)-docosapentaenoylcarnitine[c] + CoA[c]" 333.3330731 7.77E-05 Carnitine shuttle (cytosolic) +HMR_2768 "(11Z,14Z)-eicosadienoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + eicosadienoylcarnitine[c]" 166.6666666 2.47E-05 Carnitine shuttle (cytosolic) +HMR_2771 "(13Z,16Z)-docosadienoyl-CoA[c] + L-carnitine[c] <=> (13Z,16Z)-docosadienoylcarnitine[c] + CoA[c] + H+[c]" 145.8333333 2.15E-05 Carnitine shuttle (cytosolic) +HMR_2774 "10,13,16-docosatrienoyl-CoA[c] + L-carnitine[c] <=> 10,13,16-docosatrienoylcarnitine[c] + CoA[c]" 166.6666666 2.23E-05 Carnitine shuttle (cytosolic) +HMR_3032 CoA[c] + L-octanoylcarnitine[c] <=> L-carnitine[c] + octanoyl-CoA[c] 333.3330552 2.40E-05 Carnitine shuttle (cytosolic) +HMR_0161 CoA[m] + O-butanoylcarnitine[m] <=> butyryl-CoA[m] + L-carnitine[m] 2000 8.61E-05 Carnitine shuttle (mitochondrial) +HMR_2593 CoA[m] + O-acetylcarnitine[m] <=> acetyl-CoA[m] + L-carnitine[m] 1999.999998 0.000793376 Carnitine shuttle (mitochondrial) +HMR_2598 CoA[m] + O-propanoylcarnitine[m] <=> L-carnitine[m] + propanoyl-CoA[m] 999.9999906 3.29E-05 Carnitine shuttle (mitochondrial) +HMR_2600 L-carnitine[m] + malonyl-carnitin[c] => L-carnitine[c] + malonyl-carnitin[m] 999.9991656 3.12E-05 Carnitine shuttle (mitochondrial) +HMR_2601 CoA[m] + malonyl-carnitin[m] <=> L-carnitine[m] + malonyl-CoA[m] 999.9991656 3.12E-05 Carnitine shuttle (mitochondrial) +HMR_2604 CoA[m] + dodecanoylcarnitine[m] <=> lauroyl-CoA[m] + L-carnitine[m] 373.4773203 3.12E-05 Carnitine shuttle (mitochondrial) +HMR_2607 CoA[m] + tridecanoylcarnitine[m] <=> L-carnitine[m] + tridecanoyl-CoA[m] 366.6663617 1.63E-05 Carnitine shuttle (mitochondrial) +HMR_2610 CoA[m] + tetradecanoylcarnitine[m] <=> L-carnitine[m] + myristoyl-CoA[m] 318.4835519 8.57E-05 Carnitine shuttle (mitochondrial) +HMR_2613 (9E)-tetradecenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + tetradecenoylcarnitine(5)[m] 171.2319217 1.12E-05 Carnitine shuttle (mitochondrial) +HMR_2618 (7Z)-tetradecenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + tetradecenoylcarnitine(7)[m] 324.2285681 2.49E-05 Carnitine shuttle (mitochondrial) +HMR_2622 5-tetradecenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + tetradecenoylcarnitine(9)[m] 324.5961501 2.49E-05 Carnitine shuttle (mitochondrial) +HMR_2625 CoA[m] + pentadecanoylcarnitine[m] <=> L-carnitine[m] + pentadecanoyl-CoA[m] 309.5235532 1.67E-05 Carnitine shuttle (mitochondrial) +HMR_2630 CoA[m] + L-palmitoylcarnitine[m] <=> L-carnitine[m] + palmitoyl-CoA[m] 1142.856267 5.40E-05 Carnitine shuttle (mitochondrial) +HMR_2635 7-hexadecenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + hexadecenoylcarnitine(9)[m] 841.8099625 3.71E-05 Carnitine shuttle (mitochondrial) +HMR_2640 CoA[m] + palmitoleoyl-carnitine[m] <=> L-carnitine[m] + palmitoleoyl-CoA[m] 1150.756787 3.57E-05 Carnitine shuttle (mitochondrial) +HMR_2646 CoA[m] + heptadecanoylcarnitine[m] <=> heptadecanoyl-CoA[m] + L-carnitine[m] 1142.856191 2.45E-05 Carnitine shuttle (mitochondrial) +HMR_2650 (10Z)-heptadecenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + heptadecenoylcarnitine(7)[m] 142.8570237 8.38E-06 Carnitine shuttle (mitochondrial) +HMR_2653 9-heptadecenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + heptadecenoylcarnitine(8)[m] 142.8570237 8.38E-06 Carnitine shuttle (mitochondrial) +HMR_2656 CoA[m] + stearoylcarnitine[m] <=> L-carnitine[m] + stearoyl-CoA[m] 1999.99828 8.64E-05 Carnitine shuttle (mitochondrial) +HMR_2659 (13Z)-octadecenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + octadecenoylcarnitine(5)[m] 132.0865065 1.73E-05 Carnitine shuttle (mitochondrial) +HMR_2662 CoA[m] + octadecenoylcarnitine(7)[m] <=> cis-vaccenoyl-CoA[m] + L-carnitine[m] 1690.113818 3.34E-05 Carnitine shuttle (mitochondrial) +HMR_2665 CoA[m] + L-oleoylcarnitine[m] <=> L-carnitine[m] + oleoyl-CoA[m] 2000 3.41E-05 Carnitine shuttle (mitochondrial) +HMR_2668 (9E)-octadecenoyl-CoA[m] + L-carnitine[m] <=> (9E)-octadecenoylcarnitine[m] + CoA[m] 133.9088593 1.91E-05 Carnitine shuttle (mitochondrial) +HMR_2671 (7Z)-octadecenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + octadecenoylcarnitine(11)[m] 132.0865065 1.73E-05 Carnitine shuttle (mitochondrial) +HMR_2674 "(6Z,9Z)-octadecadienoyl-CoA[m] + L-carnitine[m] <=> (6Z,9Z)-octadecadienoylcarnitine[m] + CoA[m]" 134.8358085 1.70E-05 Carnitine shuttle (mitochondrial) +HMR_2677 CoA[m] + nonadecanoylcarnitine[m] <=> L-carnitine[m] + nonadecanoyl-CoA[m] 1999.998331 2.99E-05 Carnitine shuttle (mitochondrial) +HMR_2680 CoA[m] + eicosanoylcarnitine[m] <=> eicosanoyl-CoA[m] + L-carnitine[m] 1999.998331 3.69E-05 Carnitine shuttle (mitochondrial) +HMR_2683 (13Z)-eicosenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + eicosenoylcarnitine(7)[m] 999.9991656 1.67E-05 Carnitine shuttle (mitochondrial) +HMR_2686 (11Z)-eicosenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + eicosenoylcarnitine(9)[m] 1999.998331 3.22E-05 Carnitine shuttle (mitochondrial) +HMR_2689 9-eicosenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + eicosenoylcarnitine(11)[m] 117.5216181 1.57E-05 Carnitine shuttle (mitochondrial) +HMR_2692 "(8Z,11Z)-eicosadienoyl-CoA[m] + L-carnitine[m] <=> (8Z,11Z)-eicosadienoylcarnitine[m] + CoA[m]" 118.1755436 1.52E-05 Carnitine shuttle (mitochondrial) +HMR_2697 "(5Z,8Z,11Z)-eicosatrienoyl-CoA[m] + L-carnitine[m] <=> (5Z,8Z,11Z)-eicosatrienoylcarnitine[m] + CoA[m]" 117.4081515 1.48E-05 Carnitine shuttle (mitochondrial) +HMR_2701 CoA[m] + heneicosanoylcarnitine[m] <=> heneicosanoyl-CoA[m] + L-carnitine[m] 999.9991656 1.49E-05 Carnitine shuttle (mitochondrial) +HMR_2704 CoA[m] + docosanoylcarnitine[m] <=> docosanoyl-CoA[m] + L-carnitine[m] 999.9991656 1.99E-05 Carnitine shuttle (mitochondrial) +HMR_2707 (13Z)-docosenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + docosenoylcarnitine[m] 999.9991656 1.62E-05 Carnitine shuttle (mitochondrial) +HMR_2710 (11Z)-docosenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + docosenoylcarnitine(11)[m] 105.8497943 1.43E-05 Carnitine shuttle (mitochondrial) +HMR_2713 CoA[m] + octadecatrienoylcarnitine[m] <=> L-carnitine[m] + linolenoyl-CoA[m] 2000 2.53E-05 Carnitine shuttle (mitochondrial) +HMR_2716 "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[m] + L-carnitine[m] <=> (6Z,9Z,12Z,15Z)-octadecatetraenoylcarnitine[m] + CoA[m]" 1336.269027 9.42E-05 Carnitine shuttle (mitochondrial) +HMR_2719 "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[m] + L-carnitine[m] <=> (8Z,11Z,14Z,17Z)-eicosatetraenoylcarnitine[m] + CoA[m]" 999.9991656 3.17E-05 Carnitine shuttle (mitochondrial) +HMR_2724 "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[m] + L-carnitine[m] <=> (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoylcarnitine[m] + CoA[m]" 1333.31721 6.62E-05 Carnitine shuttle (mitochondrial) +HMR_2729 "(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[m] + L-carnitine[m] <=> (7Z,10Z,13Z,16Z,19Z)-docosapentaenoylcarnitine[m] + CoA[m]" 181.8181817 1.21E-05 Carnitine shuttle (mitochondrial) +HMR_2732 "(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + docosahexaenoylcarnitine[m]" 199.9992499 1.73E-05 Carnitine shuttle (mitochondrial) +HMR_2735 "(11Z,14Z,17Z)-eicosatrienoyl-CoA[m] + L-carnitine[m] <=> (11Z,14Z,17Z)-eicosatrienoylcarnitine[m] + CoA[m]" 194.4444444 1.25E-05 Carnitine shuttle (mitochondrial) +HMR_2738 "13,16,19-docosatrienoyl-CoA[m] + L-carnitine[m] <=> 13,16,19-docosatrienoylcarnitine[m] + CoA[m]" 166.6666666 1.16E-05 Carnitine shuttle (mitochondrial) +HMR_2741 "10,13,16,19-docosatetraenoyl-CoA[m] + L-carnitine[m] <=> 10,13,16,19-docosatetraenoylcarnitine[m] + CoA[m]" 181.8181817 1.19E-05 Carnitine shuttle (mitochondrial) +HMR_2745 CoA[m] + linoleic-carnitine[m] => L-carnitine[m] + linoleoyl-CoA[m] 336.367491 2.97E-05 Carnitine shuttle (mitochondrial) +HMR_2750 CoA[m] + gamma-linolenoylcarnitine[m] <=> gamma-linolenoyl-CoA[m] + L-carnitine[m] 1337.96605 4.47E-05 Carnitine shuttle (mitochondrial) +HMR_2754 CoA[m] + eicosatrienoylcarnitine[m] <=> dihomo-gamma-linolenoyl-CoA[m] + L-carnitine[m] 999.9991656 2.70E-05 Carnitine shuttle (mitochondrial) +HMR_2758 arachidonyl-carnitine[m] + CoA[m] <=> arachidonyl-CoA[m] + L-carnitine[m] 890.114609 0.000130311 Carnitine shuttle (mitochondrial) +HMR_2761 "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + ocosatetraenoylcarnitine[m]" 690.1146092 0.000105748 Carnitine shuttle (mitochondrial) +HMR_2766 "(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[m] + L-carnitine[m] <=> (4Z,7Z,10Z,13Z,16Z)-docosapentaenoylcarnitine[m] + CoA[m]" 333.3330731 9.73E-05 Carnitine shuttle (mitochondrial) +HMR_2770 "(11Z,14Z)-eicosadienoyl-CoA[m] + L-carnitine[m] <=> CoA[m] + eicosadienoylcarnitine[m]" 166.6666666 2.47E-05 Carnitine shuttle (mitochondrial) +HMR_2773 "(13Z,16Z)-docosadienoyl-CoA[m] + L-carnitine[m] <=> (13Z,16Z)-docosadienoylcarnitine[m] + CoA[m] + H+[m]" 145.8333333 2.15E-05 Carnitine shuttle (mitochondrial) +HMR_2776 "10,13,16-docosatrienoyl-CoA[m] + L-carnitine[m] <=> 10,13,16-docosatrienoylcarnitine[m] + CoA[m]" 166.6666666 2.23E-05 Carnitine shuttle (mitochondrial) +HMR_0605 "1,2-diacylglycerol-LD-TAG pool[c] + acyl-CoA pool[c] => CoA[c] + TAG-LD pool[c]" 999.9999972 1.21E-05 Acylglycerides metabolism +HMR_0665 "H2O[c] + TAG-LD pool[c] => 1,2-diacylglycerol-LD-TAG pool[c] + H+[c] + fatty acid pool[c]" 999.9999972 1.21E-05 Acylglycerides metabolism +HMR_0667 "1,2-diacylglycerol-LD-TAG pool[c] + H2O[c] => 1-acylglycerol-LD-TG1 pool[c] + H+[c] + fatty acid pool[c]" 999.9999972 0.000135352 Acylglycerides metabolism +HMR_0668 "1,2-diacylglycerol-LD-PI pool[c] + H2O[c] => 1-acylglycerol-LD-PI pool[c] + H+[c] + fatty acid pool[c]" 999.9998829 0.000135352 Acylglycerides metabolism +HMR_0669 "1,2-diacylglycerol-LD-PC pool[c] + H2O[c] => 1-acylglycerol-LD-PC pool[c] + H+[c] + fatty acid pool[c]" 999.9999972 0.000135352 Acylglycerides metabolism +HMR_0670 "1,2-diacylglycerol-LD-PE pool[c] + H2O[c] => 1-acylglycerol-LD-PE pool[c] + H+[c] + fatty acid pool[c]" 999.9999972 0.00013538 Acylglycerides metabolism +HMR_0671 "1,2-diacylglycerol-LD-PS pool[c] + H2O[c] => 1-acylglycerol-LD-PS pool[c] + H+[c] + fatty acid pool[c]" 999.9999972 0.000135352 Acylglycerides metabolism +HMR_0672 "1,2-diacylglycerol-LD-SM pool[c] + H2O[c] => 1-acylglycerol-LD-SM pool[c] + H+[c] + fatty acid pool[c]" 999.9999972 0.000135352 Acylglycerides metabolism +HMR_0679 1-acylglycerol-LD-TG1 pool[c] + H2O[c] => glycerol[c] + H+[c] + fatty acid pool[c] 499.9999986 2.46E-06 Acylglycerides metabolism +HMR_0680 1-acylglycerol-LD-PC pool[c] + H2O[c] => glycerol[c] + H+[c] + fatty acid pool[c] 499.9999986 2.46E-06 Acylglycerides metabolism +HMR_0681 1-acylglycerol-LD-PE pool[c] + H2O[c] => glycerol[c] + H+[c] + fatty acid pool[c] 499.9999986 2.46E-06 Acylglycerides metabolism +HMR_0682 1-acylglycerol-LD-PS pool[c] + H2O[c] => glycerol[c] + H+[c] + fatty acid pool[c] 499.9999986 2.46E-06 Acylglycerides metabolism +HMR_0683 1-acylglycerol-LD-PI pool[c] + H2O[c] => glycerol[c] + H+[c] + fatty acid pool[c] 499.9999986 2.46E-06 Acylglycerides metabolism +HMR_0684 1-acylglycerol-LD-SM pool[c] + H2O[c] => glycerol[c] + H+[c] + fatty acid pool[c] 499.9999986 2.46E-06 Acylglycerides metabolism +HMR_7588 DHAP[c] + acyl-CoA pool[c] => acylglycerone-phosphate[c] + CoA[c] 593.1550243 2.46E-06 Acylglycerides metabolism +HMR_3053 "12,15,18,21-tetracosatetraenoyl-CoA[p] + 11 CoA[p] + 11 H2O[p] + 11 NAD+[p] + 7 O2[p] => 12 acetyl-CoA[p] + 11 H+[p] + 7 H2O2[p] + 11 NADH[p]" 90.90908989 6.57E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3057 hexacosanoyl-CoA[p] + O2[p] => (2E)-hexacosenoyl-CoA[p] + H2O2[p] 999.9991656 1.74E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3058 (2E)-hexacosenoyl-CoA[p] + H2O[p] => 3-hydroxyhexacosanoyl-CoA[p] 999.9991656 1.74E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3059 3-hydroxyhexacosanoyl-CoA[p] + NAD+[p] => 3-oxohexacosanoyl-CoA[p] + H+[p] + NADH[p] 999.9991656 1.74E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3060 3-oxohexacosanoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + tetracosanoyl-CoA[p] 999.9991656 1.74E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3062 O2[p] + tetracosanoyl-CoA[p] => (2E)-tetracosenoyl-CoA[p] + H2O2[p] 97.13494758 1.65E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3063 (2E)-tetracosenoyl-CoA[p] + H2O[p] => 3-hydroxytetracosanoyl-CoA[p] 97.13494758 1.65E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3064 3-hydroxytetracosanoyl-CoA[p] + NAD+[p] => 3-oxotetracosanoyl-CoA[p] + H+[p] + NADH[p] 97.13494758 1.65E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3065 3-oxotetracosanoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + docosanoyl-CoA[p] 97.13494758 1.65E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3066 docosanoyl-CoA[p] + O2[p] => (2E)-docosenoyl-CoA[p] + H2O2[p] 97.13494758 1.75E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3067 (2E)-docosenoyl-CoA[p] + H2O[p] => 3-hydroxydocosanoyl-CoA[p] 97.13494758 1.75E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3068 3-hydroxydocosanoyl-CoA[p] + NAD+[p] => 3-oxodocosanoyl-CoA[p] + H+[p] + NADH[p] 97.13494758 1.75E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3069 3-oxodocosanoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + eicosanoyl-CoA[p] 97.13494758 1.75E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3070 eicosanoyl-CoA[p] + O2[p] => (2E)-eicosenoyl-CoA[p] + H2O2[p] 97.13494758 1.73E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3071 (2E)-eicosenoyl-CoA[p] + H2O[p] => 3-hydroxyeicosanoyl-CoA[p] 97.13494758 1.73E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3072 3-hydroxyeicosanoyl-CoA[p] + NAD+[p] => 3-oxoeicosanoyl-CoA[p] + H+[p] + NADH[p] 97.13494758 1.73E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3073 3-oxoeicosanoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + stearoyl-CoA[p] 97.13494758 1.73E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3074 O2[p] + stearoyl-CoA[p] => (2E)-octadecenoyl-CoA[p] + H2O2[p] 133.7135562 1.74E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3075 (2E)-octadecenoyl-CoA[p] + H2O[p] => 3-hydroxyoctadecanoyl-CoA[p] 133.7135562 1.74E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3076 3-hydroxyoctadecanoyl-CoA[p] + NAD+[p] => 3-oxooctadecanoyl-CoA[p] + H+[p] + NADH[p] 133.7135562 1.74E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3077 3-oxooctadecanoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + palmitoyl-CoA[p] 133.7135562 1.74E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3078 O2[p] + palmitoyl-CoA[p] => (2E)-hexadecenoyl-CoA[p] + H2O2[p] 150.501961 4.82E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3079 (2E)-hexadecenoyl-CoA[p] + H2O[p] => (S)-3-hydroxyhexadecanoyl-CoA[p] 150.501961 4.82E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3080 (S)-3-hydroxyhexadecanoyl-CoA[p] + NAD+[p] => 3-oxopalmitoyl-CoA[p] + H+[p] + NADH[p] 150.501961 4.82E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3081 3-oxopalmitoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + myristoyl-CoA[p] 150.501961 4.82E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3082 myristoyl-CoA[p] + O2[p] => (2E)-tetradecenoyl-CoA[p] + H2O2[p] 150.501961 1.75E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3083 (2E)-tetradecenoyl-CoA[p] + H2O[p] => (S)-3-hydroxytetradecanoyl-CoA[p] 150.501961 1.75E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3084 (S)-3-hydroxytetradecanoyl-CoA[p] + NAD+[p] => 3-oxotetradecanoyl-CoA[p] + H+[p] + NADH[p] 150.501961 1.74E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3085 3-oxotetradecanoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + lauroyl-CoA[p] 150.501961 1.75E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3086 lauroyl-CoA[p] + O2[p] => (2E)-dodecenoyl-CoA[p] + H2O2[p] 150.501961 1.74E-08 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3087 (2E)-dodecenoyl-CoA[p] + H2O[p] => (S)-3-hydroxydodecanoyl-CoA[p] 150.501961 2.26E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3088 (S)-3-hydroxydodecanoyl-CoA[p] + NAD+[p] => 3-oxododecanoyl-CoA[p] + H+[p] + NADH[p] 150.501961 2.26E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3089 3-oxododecanoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + decanoyl-CoA[p] 150.501961 2.26E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3090 decanoyl-CoA[p] + O2[p] => (2E)-decenoyl-CoA[p] + H2O2[p] 150.501961 4.71E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3091 (2E)-decenoyl-CoA[p] + H2O[p] => (S)-hydroxydecanoyl-CoA[p] 249.9999972 4.65E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3092 (S)-hydroxydecanoyl-CoA[p] + NAD+[p] => 3-oxodecanoyl-CoA[p] + H+[p] + NADH[p] 249.9999972 4.65E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3093 3-oxodecanoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + octanoyl-CoA[p] 249.9999972 4.65E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3094 O2[p] + octanoyl-CoA[p] => (2E)-octenoyl-CoA[p] + H2O2[p] 527.2618893 5.14E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3095 (2E)-octenoyl-CoA[p] + H2O[p] => (S)-hydroxyoctanoyl-CoA[p] 527.2618893 5.14E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3096 (S)-hydroxyoctanoyl-CoA[p] + NAD+[p] => 3-oxooctanoyl-CoA[p] + H+[p] + NADH[p] 527.2618893 5.14E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3097 3-oxooctanoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + hexanoyl-CoA[p] 527.2618893 5.14E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3098 hexanoyl-CoA[p] + O2[p] => (2E)-hexenoyl-CoA[p] + H2O2[p] 527.2618893 3.06E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3099 (2E)-hexenoyl-CoA[p] + H2O[p] => (S)-hydroxyhexanoyl-CoA[p] 527.2618893 3.03E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3100 (S)-hydroxyhexanoyl-CoA[p] + NAD+[p] => 3-oxohexanoyl-CoA[p] + H+[p] + NADH[p] 527.2618893 3.03E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3101 3-oxohexanoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + butyryl-CoA[p] 527.2618893 3.03E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3102 butyryl-CoA[p] + O2[p] => crotonyl-CoA[p] + H2O2[p] 527.5810197 4.82E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3103 crotonyl-CoA[p] + H2O[p] => (S)-3-hydroxybutyryl-CoA[p] 527.5810197 4.82E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3104 (S)-3-hydroxybutyryl-CoA[p] + NAD+[p] => acetoacetyl-CoA[p] + H+[p] + NADH[p] 527.5810197 4.82E-05 Beta oxidation of even-chain fatty acids (peroxisomal) +HMR_3056 10 CoA[p] + 10 H2O[p] + 10 NAD+[p] + 10 O2[p] + tricosanoyl-CoA[p] => 10 acetyl-CoA[p] + 10 H+[p] + 10 H2O2[p] + 10 NADH[p] + propanoyl-CoA[p] 99.99991656 9.97E-06 Beta oxidation of odd-chain fatty acids (peroxisomal) +HMR_3326 "hexacosenoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis-2,17-hexacosadienoyl-CoA[p]" 88.2959508 1.71E-08 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3327 "H2O[p] + trans,cis-2,17-hexacosadienoyl-CoA[p] => 3(S)-hydroxy-hexacosenoyl-CoA[p]" 88.2959508 1.71E-08 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3328 3(S)-hydroxy-hexacosenoyl-CoA[p] + NAD+[p] => 3-oxo-hexacosenoyl-CoA[p] + H+[p] + NADH[p] 88.2959508 1.71E-08 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3329 3-oxo-hexacosenoyl-CoA[p] + CoA[p] => (15Z)-tetracosenoyl-CoA[p] + acetyl-CoA[p] 88.2959508 1.71E-08 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3330 "(15Z)-tetracosenoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis-2,15-tetracosadienoyl-CoA[p]" 96.32335842 2.84E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3331 "H2O[p] + trans,cis-2,15-tetracosadienoyl-CoA[p] => 3(S)-hydroxy-cis-15-tetracosaenoyl-CoA[p]" 96.32335842 2.84E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3332 3(S)-hydroxy-cis-15-tetracosaenoyl-CoA[p] + NAD+[p] => 3-oxo-cis-15-tetracosaenoyl-CoA[p] + H+[p] + NADH[p] 96.32335842 2.84E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3333 3-oxo-cis-15-tetracosaenoyl-CoA[p] + CoA[p] => (13Z)-docosenoyl-CoA[p] + acetyl-CoA[p] 96.32335842 2.84E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3334 "(13Z)-docosenoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis-2,13-docosadienoyl-CoA[p]" 96.32335842 2.84E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3335 "H2O[p] + trans,cis-2,13-docosadienoyl-CoA[p] => 3(S)-hydroxy-13-cis-docosenoyl-CoA[p]" 96.32335842 2.91E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3336 3(S)-hydroxy-13-cis-docosenoyl-CoA[p] + NAD+[p] => 3-oxo-13cis-docosenoyl-CoA[p] + H+[p] + NADH[p] 96.32335842 2.91E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3337 3-oxo-13cis-docosenoyl-CoA[p] + CoA[p] => (11Z)-eicosenoyl-CoA[p] + acetyl-CoA[p] 96.32335842 2.91E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3338 "(11Z)-eicosenoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis-2,11-eicosadienoyl-CoA[p]" 96.32335842 2.91E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3339 "H2O[p] + trans,cis-2,11-eicosadienoyl-CoA[p] => 3(S)-hydroxy-11-cis-eicosenoyl-CoA[p]" 96.32335842 2.40E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3340 3(S)-hydroxy-11-cis-eicosenoyl-CoA[p] + NAD+[p] => 3-oxo-11-cis-eicosenoyl-CoA[p] + H+[p] + NADH[p] 96.32335842 2.40E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3341 3-oxo-11-cis-eicosenoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + oleoyl-CoA[p] 96.32335842 2.40E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3342 "O2[p] + oleoyl-CoA[p] => H2O2[p] + trans,cis-octadeca-2,9-dienoyl-CoA[p]" 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3343 "H2O[p] + trans,cis-octadeca-2,9-dienoyl-CoA[p] => (S)-3-hydroxyoleyleoyl-CoA[p]" 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3344 (S)-3-hydroxyoleyleoyl-CoA[p] + NAD+[p] => 3-oxooleoyl-CoA[p] + H+[p] + NADH[p] 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3345 3-oxooleoyl-CoA[p] + CoA[p] => 7-hexadecenoyl-CoA[p] + acetyl-CoA[p] 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3346 "7-hexadecenoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis-hexadeca-2,7-dienoyl-CoA[p]" 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3347 "H2O[p] + trans,cis-hexadeca-2,7-dienoyl-CoA[p] => (S)-3-hydroxy-7-hexadecenoyl-CoA[p]" 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3348 (S)-3-hydroxy-7-hexadecenoyl-CoA[p] + NAD+[p] => 3-oxo-7-hexadecenoyl-CoA[p] + H+[p] + NADH[p] 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3349 3-oxo-7-hexadecenoyl-CoA[p] + CoA[p] => 5-tetradecenoyl-CoA[p] + acetyl-CoA[p] 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3350 "5-tetradecenoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis-myristo-2,5-dienoyl-CoA[p]" 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3351 "H2O[p] + trans,cis-myristo-2,5-dienoyl-CoA[p] => cis-(3S)-hydroxytetradec-5-enoyl-CoA[p]" 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3352 cis-(3S)-hydroxytetradec-5-enoyl-CoA[p] + NAD+[p] => 3-oxomyrist-5-enoyl-CoA[p] + H+[p] + NADH[p] 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3353 3-oxomyrist-5-enoyl-CoA[p] + CoA[p] => (3Z)-dodecenoyl-CoA[p] + acetyl-CoA[p] 96.32335842 5.82E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3364 "O2[p] + palmitoleoyl-CoA[p] => H2O2[p] + trans,cis-hexadeca-2,9-dienoyl-CoA[p]" 999.9999888 5.37E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3365 "H2O[p] + trans,cis-hexadeca-2,9-dienoyl-CoA[p] => (S)-3-hydroxypalmitoleoyl-CoA[p]" 117.5528197 3.65E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3367 (S)-3-hydroxypalmitoleoyl-CoA[p] + NAD+[p] => 3-oxopalmitoleoyl-CoA[p] + H+[p] + NADH[p] 117.5528197 3.65E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3368 3-oxopalmitoleoyl-CoA[p] + CoA[p] => (7Z)-tetradecenoyl-CoA[p] + acetyl-CoA[p] 117.5528197 3.65E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3369 "(7Z)-tetradecenoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis-myristo-2,7-dienoyl-CoA[p]" 999.9999888 5.78E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3370 "H2O[p] + trans,cis-myristo-2,7-dienoyl-CoA[p] => cis-(3S)-hydroxytetradec-7-enoyl-CoA[p]" 117.5528197 3.46E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3372 cis-(3S)-hydroxytetradec-7-enoyl-CoA[p] + NAD+[p] => 3-oxomyrist-7-enoyl-CoA[p] + H+[p] + NADH[p] 117.5528197 3.46E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3373 3-oxomyrist-7-enoyl-CoA[p] + CoA[p] => (5Z)-dodecenoyl-CoA[p] + acetyl-CoA[p] 117.5528197 3.46E-09 Beta oxidation of unsaturated fatty acids (n-9) (peroxisomal) +HMR_3301 "linoleoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis,cis-2,9,12-octadecatrienoyl-CoA[p]" 999.9999888 6.99E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3302 "H2O[p] + trans,cis,cis-2,9,12-octadecatrienoyl-CoA[p] => (3S)-3-hydroxylinoleoyl-CoA[p]" 249.9999972 4.29E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3304 (3S)-3-hydroxylinoleoyl-CoA[p] + NAD+[p] => 3-oxolinoleoyl-CoA[p] + H+[p] + NADH[p] 249.9999972 4.29E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3305 "3-oxolinoleoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + cis,cis-palmito-7,10-dienoyl-CoA[p]" 249.9999972 4.29E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3306 "cis,cis-palmito-7,10-dienoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis,cis-2,7,10-hexadecatrienoyl-CoA[p]" 999.9999888 6.99E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3307 "H2O[p] + trans,cis,cis-2,7,10-hexadecatrienoyl-CoA[p] => (3S)-3-hydroxy-cis,cis-palmito-7,10-dienoyl-CoA[p]" 249.9999972 4.05E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3309 "(3S)-3-hydroxy-cis,cis-palmito-7,10-dienoyl-CoA[p] + NAD+[p] => 3-oxo-cis,cis-7,10-hexadecadienoyl-CoA[p] + H+[p] + NADH[p]" 249.9999972 4.05E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3310 "3-oxo-cis,cis-7,10-hexadecadienoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + cis,cis-myristo-5,8-dienoyl-CoA[p]" 249.9999972 4.05E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3311 "cis,cis-myristo-5,8-dienoyl-CoA[p] + O2[p] => H2O2[p] + trans-2-cis,cis-5,8-tetradecatrienoyl-CoA[p]" 999.9999888 6.62E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3312 "H2O[p] + trans-2-cis,cis-5,8-tetradecatrienoyl-CoA[p] => 3(S)-hydroxy-(5Z,8Z)-tetradecadienoyl-CoA[p]" 249.9999972 4.07E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3314 "3(S)-hydroxy-(5Z,8Z)-tetradecadienoyl-CoA[p] + NAD+[p] => 3-oxo-cis,cis-5,8-tetradecadienoyl-CoA[p] + H+[p] + NADH[p]" 249.9999972 4.07E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3315 "3-oxo-cis,cis-5,8-tetradecadienoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + cis,cis-3,6-dodecadienoyl-CoA[p]" 249.9999972 4.07E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3316 "cis,cis-3,6-dodecadienoyl-CoA[p] => trans,cis-lauro-2,6-dienoyl-CoA[p]" 249.9999972 4.07E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3317 "H2O[p] + trans,cis-lauro-2,6-dienoyl-CoA[p] => (3S)-3-hydroxydodec-cis-6-enoyl-CoA[p]" 249.9999972 4.07E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3319 (3S)-3-hydroxydodec-cis-6-enoyl-CoA[p] + NAD+[p] => 3-oxolaur-6-cis-enoyl-CoA[p] + H+[p] + NADH[p] 249.9999972 4.07E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3320 3-oxolaur-6-cis-enoyl-CoA[p] + CoA[p] => 4-cis-decenoyl-CoA[p] + acetyl-CoA[p] 249.9999972 4.07E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3322 2-trans-4-cis-decadienoyl-CoA[p] + H+[p] + NADH[p] => NAD+[p] + trans-3-decenoyl-CoA[p] 249.9999972 4.37E-09 Beta oxidation of di-unsaturated fatty acids (n-6) (peroxisomal) +HMR_3107 docosanoyl-CoA[m] + FAD[m] => (2E)-docosenoyl-CoA[m] + FADH2[m] 999.9991656 1.99E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3108 (2E)-docosenoyl-CoA[m] + H2O[m] => 3-hydroxydocosanoyl-CoA[m] 999.9991656 1.99E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3109 3-hydroxydocosanoyl-CoA[m] + NAD+[m] => 3-oxodocosanoyl-CoA[m] + H+[m] + NADH[m] 999.9991656 1.99E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3110 3-oxodocosanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + eicosanoyl-CoA[m] 999.9991656 1.99E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3111 eicosanoyl-CoA[m] + FAD[m] => (2E)-eicosenoyl-CoA[m] + FADH2[m] 999.9991656 2.19E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3112 (2E)-eicosenoyl-CoA[m] + H2O[m] => 3-hydroxyeicosanoyl-CoA[m] 999.9991656 2.19E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3113 3-hydroxyeicosanoyl-CoA[m] + NAD+[m] => 3-oxoeicosanoyl-CoA[m] + H+[m] + NADH[m] 999.9991656 2.19E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3114 3-oxoeicosanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + stearoyl-CoA[m] 999.9991656 2.19E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3115 FAD[m] + stearoyl-CoA[m] => (2E)-octadecenoyl-CoA[m] + FADH2[m] 1000 5.50E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3116 (2E)-octadecenoyl-CoA[m] + H2O[m] => 3-hydroxyoctadecanoyl-CoA[m] 1000 5.50E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3117 3-hydroxyoctadecanoyl-CoA[m] + NAD+[m] => 3-oxooctadecanoyl-CoA[m] + H+[m] + NADH[m] 1000 5.50E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3118 3-oxooctadecanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + palmitoyl-CoA[m] 1000 5.50E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3121 FAD[m] + palmitoyl-CoA[m] => (2E)-hexadecenoyl-CoA[m] + FADH2[m] 1000 0.001517878 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3122 (2E)-hexadecenoyl-CoA[m] + H2O[m] => (S)-3-hydroxyhexadecanoyl-CoA[m] 151.8727741 5.82E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3123 (S)-3-hydroxyhexadecanoyl-CoA[m] + NAD+[m] => 3-oxopalmitoyl-CoA[m] + H+[m] + NADH[m] 151.8727741 5.82E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3125 3-oxopalmitoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + myristoyl-CoA[m] 151.8727741 5.82E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3128 FAD[m] + myristoyl-CoA[m] => (2E)-tetradecenoyl-CoA[m] + FADH2[m] 1000 0.00150961 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3129 (2E)-tetradecenoyl-CoA[m] + H2O[m] => (S)-3-hydroxytetradecanoyl-CoA[m] 173.506794 3.61E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3130 (S)-3-hydroxytetradecanoyl-CoA[m] + NAD+[m] => 3-oxotetradecanoyl-CoA[m] + H+[m] + NADH[m] 173.506794 3.61E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3132 3-oxotetradecanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + lauroyl-CoA[m] 173.506794 3.61E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3135 FAD[m] + lauroyl-CoA[m] => (2E)-dodecenoyl-CoA[m] + FADH2[m] 1000 0.00150961 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3136 (2E)-dodecenoyl-CoA[m] + H2O[m] => (S)-3-hydroxydodecanoyl-CoA[m] 205.0868481 3.56E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3137 (S)-3-hydroxydodecanoyl-CoA[m] + NAD+[m] => 3-oxododecanoyl-CoA[m] + H+[m] + NADH[m] 205.0868481 3.56E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3139 3-oxododecanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + decanoyl-CoA[m] 205.0868481 3.56E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3142 decanoyl-CoA[m] + FAD[m] => (2E)-decenoyl-CoA[m] + FADH2[m] 1000 0.00150961 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3143 (2E)-decenoyl-CoA[m] + H2O[m] => (S)-hydroxydecanoyl-CoA[m] 403.6994789 3.72E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3144 (S)-hydroxydecanoyl-CoA[m] + NAD+[m] => 3-oxodecanoyl-CoA[m] + H+[m] + NADH[m] 403.6994789 3.72E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3146 3-oxodecanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + octanoyl-CoA[m] 403.6994789 3.72E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3149 FAD[m] + octanoyl-CoA[m] => (2E)-octenoyl-CoA[m] + FADH2[m] 1000 0.00150961 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3150 (2E)-octenoyl-CoA[m] + H2O[m] => (S)-hydroxyoctanoyl-CoA[m] 527.5810197 4.54E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3151 (S)-hydroxyoctanoyl-CoA[m] + NAD+[m] => 3-oxooctanoyl-CoA[m] + H+[m] + NADH[m] 527.5810197 4.54E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3153 3-oxooctanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + hexanoyl-CoA[m] 527.5810197 4.54E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3156 FAD[m] + hexanoyl-CoA[m] => (2E)-hexenoyl-CoA[m] + FADH2[m] 1000 0.001409948 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3157 (2E)-hexenoyl-CoA[m] + H2O[m] => (S)-hydroxyhexanoyl-CoA[m] 527.5810197 4.49E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3158 (S)-hydroxyhexanoyl-CoA[m] + NAD+[m] => 3-oxohexanoyl-CoA[m] + H+[m] + NADH[m] 527.5810197 4.49E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3160 3-oxohexanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + butyryl-CoA[m] 527.5810197 4.49E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3398 (9E)-tetradecenoyl-CoA[m] + 6 CoA[m] + 5 FAD[m] + 6 H2O[m] + 6 NAD+[m] => 7 acetyl-CoA[m] + 5 FADH2[m] + 6 H+[m] + 6 NADH[m] 171.2319217 1.12E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3406 (13Z)-octadecenoyl-CoA[m] + 8 CoA[m] + 7 FAD[m] + 8 H2O[m] + 8 NAD+[m] => 9 acetyl-CoA[m] + 7 FADH2[m] + 8 H+[m] + 8 NADH[m] 132.0865065 1.73E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3407 (9E)-octadecenoyl-CoA[m] + 8 CoA[m] + 7 FAD[m] + 8 H2O[m] + 8 NAD+[m] => 9 acetyl-CoA[m] + 7 FADH2[m] + 8 H+[m] + 8 NADH[m] 133.9088593 1.91E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3408 (7Z)-octadecenoyl-CoA[m] + 8 CoA[m] + 7 FAD[m] + 8 H2O[m] + 8 NAD+[m] => 9 acetyl-CoA[m] + 7 FADH2[m] + 8 H+[m] + 8 NADH[m] 132.0865065 1.73E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3409 "(6Z,9Z)-octadecadienoyl-CoA[m] + 8 CoA[m] + 6 FAD[m] + 8 H2O[m] + 8 NAD+[m] => 9 acetyl-CoA[m] + 6 FADH2[m] + 8 H+[m] + 8 NADH[m]" 132.9277682 1.67E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3411 9-eicosenoyl-CoA[m] + 9 CoA[m] + 8 FAD[m] + 9 H2O[m] + 9 NAD+[m] => 10 acetyl-CoA[m] + 8 FADH2[m] + 9 H+[m] + 9 NADH[m] 117.5216181 1.57E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3413 "(8Z,11Z)-eicosadienoyl-CoA[m] + 9 CoA[m] + 7 FAD[m] + 9 H2O[m] + 9 NAD+[m] => 10 acetyl-CoA[m] + 7 FADH2[m] + 9 H+[m] + 9 NADH[m]" 118.1755436 1.52E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3414 "(5Z,8Z,11Z)-eicosatrienoyl-CoA[m] + 9 CoA[m] + 6 FAD[m] + 9 H2O[m] + 9 NAD+[m] => 10 acetyl-CoA[m] + 6 FADH2[m] + 9 H+[m] + 9 NADH[m]" 117.4081515 1.48E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3416 (11Z)-docosenoyl-CoA[m] + 10 CoA[m] + 9 FAD[m] + 10 H2O[m] + 10 NAD+[m] => 11 acetyl-CoA[m] + 9 FADH2[m] + 10 H+[m] + 10 NADH[m] 105.8497943 1.43E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3421 "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[m] + 10 CoA[m] + 6 FAD[m] + 10 H2O[m] + 10 NAD+[m] => 11 acetyl-CoA[m] + 6 FADH2[m] + 10 H+[m] + 10 NADH[m]" 181.8181817 2.32E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3422 "(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[m] + 10 CoA[m] + 5 FAD[m] + 10 H2O[m] + 10 NAD+[m] => 11 acetyl-CoA[m] + 5 FADH2[m] + 10 H+[m] + 10 NADH[m]" 181.8181817 2.08E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3423 "(11Z,14Z)-eicosadienoyl-CoA[m] + 9 CoA[m] + 7 FAD[m] + 9 H2O[m] + 9 NAD+[m] => 10 acetyl-CoA[m] + 7 FADH2[m] + 9 H+[m] + 9 NADH[m]" 166.6666666 2.47E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3424 "(13Z,16Z)-docosadienoyl-CoA[m] + 10 CoA[m] + 8 FAD[m] + 10 H2O[m] + 10 NAD+[m] => 11 acetyl-CoA[m] + 8 FADH2[m] + 10 H+[m] + 10 NADH[m]" 145.8333333 2.15E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3425 "10,13,16-docosatrienoyl-CoA[m] + 10 CoA[m] + 7 FAD[m] + 10 H2O[m] + 10 NAD+[m] => 11 acetyl-CoA[m] + 7 FADH2[m] + 10 H+[m] + 10 NADH[m]" 166.6666666 2.23E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3426 8 CoA[m] + 5 FAD[m] + 8 H2O[m] + linolenoyl-CoA[m] + 8 NAD+[m] => 9 acetyl-CoA[m] + 5 FADH2[m] + 8 H+[m] + 8 NADH[m] 222.222222 1.35E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_9719 "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[m] + 8 CoA[m] + 4 FAD[m] + 8 H2O[m] + 8 NAD+[m] => 9 acetyl-CoA[m] + 4 FADH2[m] + 8 H+[m] + 8 NADH[m]" 222.222222 2.10E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3427 "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[m] + 9 CoA[m] + 5 FAD[m] + 9 H2O[m] + 9 NAD+[m] => 10 acetyl-CoA[m] + 5 FADH2[m] + 9 H+[m] + 9 NADH[m]" 199.9999998 1.28E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3428 "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[m] + 9 CoA[m] + 4 FAD[m] + 9 H2O[m] + 9 NAD+[m] => 10 acetyl-CoA[m] + 4 FADH2[m] + 9 H+[m] + 9 NADH[m]" 199.9999998 2.10E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3429 "(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[m] + 10 CoA[m] + 5 FAD[m] + 10 H2O[m] + 10 NAD+[m] => 11 acetyl-CoA[m] + 5 FADH2[m] + 10 H+[m] + 10 NADH[m]" 181.8181817 1.21E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3430 "(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[m] + 10 CoA[m] + 4 FAD[m] + 10 H2O[m] + 10 NAD+[m] => 11 acetyl-CoA[m] + 4 FADH2[m] + 10 H+[m] + 10 NADH[m]" 140.2309128 9.50E-06 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3431 "(11Z,14Z,17Z)-eicosatrienoyl-CoA[m] + 9 CoA[m] + 6 FAD[m] + 9 H2O[m] + 9 NAD+[m] => 10 acetyl-CoA[m] + 6 FADH2[m] + 9 H+[m] + 9 NADH[m]" 194.4444444 1.25E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3432 "13,16,19-docosatrienoyl-CoA[m] + 10 CoA[m] + 7 FAD[m] + 10 H2O[m] + 10 NAD+[m] => 11 acetyl-CoA[m] + 7 FADH2[m] + 10 H+[m] + 10 NADH[m]" 166.6666666 1.16E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3433 "10,13,16,19-docosatetraenoyl-CoA[m] + 10 CoA[m] + 6 FAD[m] + 10 H2O[m] + 10 NAD+[m] => 11 acetyl-CoA[m] + 6 FADH2[m] + 10 H+[m] + 10 NADH[m]" 181.8181817 1.19E-05 Beta oxidation of even-chain fatty acids (mitochondrial) +HMR_3170 FAD[m] + heneicosanoyl-CoA[m] => (2E)-heneicosenoyl-CoA[m] + FADH2[m] 999.9991656 1.49E-05 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3171 (2E)-heneicosenoyl-CoA[m] + H2O[m] => 3-hydroxyheneicosanoyl-CoA[m] 999.9991656 1.49E-05 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3172 3-hydroxyheneicosanoyl-CoA[m] + NAD+[m] => 3-oxoheneicosanoyl-CoA[m] + H+[m] + NADH[m] 999.9991656 1.49E-05 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3173 3-oxoheneicosanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + nonadecanoyl-CoA[m] 999.9991656 1.49E-05 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3174 FAD[m] + nonadecanoyl-CoA[m] => (2E)-nonadecenoyl-CoA[m] + FADH2[m] 999.9991656 1.49E-05 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3175 (2E)-nonadecenoyl-CoA[m] + H2O[m] => 3-hydroxynonadecanoyl-CoA[m] 999.9991656 1.49E-05 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3176 3-hydroxynonadecanoyl-CoA[m] + NAD+[m] => 3-oxononadecanoyl-CoA[m] + H+[m] + NADH[m] 999.9991656 1.49E-05 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3177 3-oxononadecanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + heptadecanoyl-CoA[m] 999.9991656 1.49E-05 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3178 FAD[m] + heptadecanoyl-CoA[m] => (2E)-heptadecenoyl-CoA[m] + FADH2[m] 142.8570255 9.54E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3179 (2E)-heptadecenoyl-CoA[m] + H2O[m] => 3-hydroxyheptadecanoyl-CoA[m] 142.8570255 9.54E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3180 3-hydroxyheptadecanoyl-CoA[m] + NAD+[m] => 3-oxoheptadecanoyl-CoA[m] + H+[m] + NADH[m] 142.8570255 9.54E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3181 3-oxoheptadecanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + pentadecanoyl-CoA[m] 142.8570255 9.54E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3182 FAD[m] + pentadecanoyl-CoA[m] => (2E)-pentadecenoyl-CoA[m] + FADH2[m] 166.6665286 9.10E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3183 (2E)-pentadecenoyl-CoA[m] + H2O[m] => 3-hydroxypentadecanoyl-CoA[m] 166.6665286 9.10E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3184 3-hydroxypentadecanoyl-CoA[m] + NAD+[m] => 3-oxopentadecanoyl-CoA[m] + H+[m] + NADH[m] 166.6665286 9.10E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3185 3-oxopentadecanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + tridecanoyl-CoA[m] 166.6665286 9.10E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3186 FAD[m] + tridecanoyl-CoA[m] => (2E)-tridecenoyl-CoA[m] + FADH2[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3187 (2E)-tridecenoyl-CoA[m] + H2O[m] => 3-hydroxytridecanoyl-CoA[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3188 3-hydroxytridecanoyl-CoA[m] + NAD+[m] => 3-oxotridecanoyl-CoA[m] + H+[m] + NADH[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3189 3-oxotridecanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + undecanoyl-CoA[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3190 FAD[m] + undecanoyl-CoA[m] => (2E)-undecenoyl-CoA[m] + FADH2[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3191 (2E)-undecenoyl-CoA[m] + H2O[m] => 3-hydroxyundecanoyl-CoA[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3192 3-hydroxyundecanoyl-CoA[m] + NAD+[m] => 3-oxoundecanoyl-CoA[m] + H+[m] + NADH[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3193 3-oxoundecanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + nonanoyl-CoA[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3194 FAD[m] + nonanoyl-CoA[m] => (2E)-nonenoyl-CoA[m] + FADH2[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3195 (2E)-nonenoyl-CoA[m] + H2O[m] => 3-hydroxynonanoyl-CoA[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3196 3-hydroxynonanoyl-CoA[m] + NAD+[m] => 3-oxononanoyl-CoA[m] + H+[m] + NADH[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3197 3-oxononanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + heptanoyl-CoA[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3198 FAD[m] + heptanoyl-CoA[m] => (2E)-heptenoyl-CoA[m] + FADH2[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3199 (2E)-heptenoyl-CoA[m] + H2O[m] => 3-hydroxyheptanoyl-CoA[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3200 3-hydroxyheptanoyl-CoA[m] + NAD+[m] => 3-oxoheptanoyl-CoA[m] + H+[m] + NADH[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3201 3-oxoheptanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + pentanoyl-CoA[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3202 FAD[m] + pentanoyl-CoA[m] => (2E)-pentenoyl-CoA[m] + FADH2[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3203 (2E)-pentenoyl-CoA[m] + H2O[m] => 3-hydroxypentanoyl-CoA[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3204 3-hydroxypentanoyl-CoA[m] + NAD+[m] => 3-oxopentanoyl-CoA[m] + H+[m] + NADH[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3205 3-oxopentanoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + propanoyl-CoA[m] 199.9998331 8.74E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3396 (10Z)-heptadecenoyl-CoA[m] + 7 CoA[m] + 6 FAD[m] + 7 H2O[m] + 7 NAD+[m] => 7 acetyl-CoA[m] + 6 FADH2[m] + 7 H+[m] + 7 NADH[m] + propanoyl-CoA[m] 142.8570237 8.38E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3397 9-heptadecenoyl-CoA[m] + 7 CoA[m] + 6 FAD[m] + 7 H2O[m] + 7 NAD+[m] => 7 acetyl-CoA[m] + 6 FADH2[m] + 7 H+[m] + 7 NADH[m] + propanoyl-CoA[m] 142.8570237 8.38E-06 Beta oxidation of odd-chain fatty acids (mitochondrial) +HMR_3240 "(13Z)-eicosenoyl-CoA[m] + FAD[m] => FADH2[m] + trans,cis-2,13-eicosadienoyl-CoA[m]" 999.9991656 1.67E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3241 "H2O[m] + trans,cis-2,13-eicosadienoyl-CoA[m] => 3(S)-hydroxy-13-cis-eicosenoyl-CoA[m]" 999.9991656 1.67E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3242 3(S)-hydroxy-13-cis-eicosenoyl-CoA[m] + NAD+[m] => 3-oxo-13-cis-eicosenoyl-CoA[m] + H+[m] + NADH[m] 999.9991656 1.67E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3243 3-oxo-13-cis-eicosenoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + cis-vaccenoyl-CoA[m] 999.9991656 1.67E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3244 "cis-vaccenoyl-CoA[m] + FAD[m] => FADH2[m] + trans,cis-octadeca-2,11-dienoyl-CoA[m]" 690.1146527 1.85E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3245 "H2O[m] + trans,cis-octadeca-2,11-dienoyl-CoA[m] => (S)-3-hydroxy-11-cis-octadecenoyl-CoA[m]" 690.1146527 1.85E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3246 (S)-3-hydroxy-11-cis-octadecenoyl-CoA[m] + NAD+[m] => 3-oxo-11-cis-octadecenoyl-CoA[m] + H+[m] + NADH[m] 690.1146527 1.85E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3247 3-oxo-11-cis-octadecenoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + palmitoleoyl-CoA[m] 690.1146527 1.85E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3250 "FAD[m] + palmitoleoyl-CoA[m] => FADH2[m] + trans,cis-hexadeca-2,9-dienoyl-CoA[m]" 151.2835045 2.07E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3252 "H2O[m] + trans,cis-hexadeca-2,9-dienoyl-CoA[m] => (S)-3-hydroxypalmitoleoyl-CoA[m]" 151.2835045 2.07E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3254 (S)-3-hydroxypalmitoleoyl-CoA[m] + NAD+[m] => 3-oxopalmitoleoyl-CoA[m] + H+[m] + NADH[m] 151.2835045 2.07E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3256 3-oxopalmitoleoyl-CoA[m] + CoA[m] => (7Z)-tetradecenoyl-CoA[m] + acetyl-CoA[m] 151.2835045 2.07E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3258 "(7Z)-tetradecenoyl-CoA[m] + FAD[m] => FADH2[m] + trans,cis-myristo-2,7-dienoyl-CoA[m]" 173.0879358 2.01E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3260 "H2O[m] + trans,cis-myristo-2,7-dienoyl-CoA[m] => cis-(3S)-hydroxytetradec-7-enoyl-CoA[m]" 173.0879358 2.01E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3262 cis-(3S)-hydroxytetradec-7-enoyl-CoA[m] + NAD+[m] => 3-oxomyrist-7-enoyl-CoA[m] + H+[m] + NADH[m] 173.0879358 2.01E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3264 3-oxomyrist-7-enoyl-CoA[m] + CoA[m] => (5Z)-dodecenoyl-CoA[m] + acetyl-CoA[m] 173.0879358 2.01E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3272 (2E)-dodecenoyl-CoA[m] <=> (5Z)-dodecenoyl-CoA[m] 173.0879358 2.01E-05 Beta oxidation of unsaturated fatty acids (n-7) (mitochondrial) +HMR_3356 "(13Z)-eicosenoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis-2,13-eicosadienoyl-CoA[p]" 117.5528197 3.65E-09 Beta oxidation of unsaturated fatty acids (n-7) (peroxisomal) +HMR_3357 "H2O[p] + trans,cis-2,13-eicosadienoyl-CoA[p] => 3(S)-hydroxy-13-cis-eicosenoyl-CoA[p]" 117.5528197 3.65E-09 Beta oxidation of unsaturated fatty acids (n-7) (peroxisomal) +HMR_3358 3(S)-hydroxy-13-cis-eicosenoyl-CoA[p] + NAD+[p] => 3-oxo-13-cis-eicosenoyl-CoA[p] + H+[p] + NADH[p] 117.5528197 3.65E-09 Beta oxidation of unsaturated fatty acids (n-7) (peroxisomal) +HMR_3359 3-oxo-13-cis-eicosenoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + cis-vaccenoyl-CoA[p] 117.5528197 3.65E-09 Beta oxidation of unsaturated fatty acids (n-7) (peroxisomal) +HMR_3360 "cis-vaccenoyl-CoA[p] + O2[p] => H2O2[p] + trans,cis-octadeca-2,11-dienoyl-CoA[p]" 117.5528197 3.65E-09 Beta oxidation of unsaturated fatty acids (n-7) (peroxisomal) +HMR_3361 "H2O[p] + trans,cis-octadeca-2,11-dienoyl-CoA[p] => (S)-3-hydroxy-11-cis-octadecenoyl-CoA[p]" 117.5528197 3.92E-09 Beta oxidation of unsaturated fatty acids (n-7) (peroxisomal) +HMR_3362 (S)-3-hydroxy-11-cis-octadecenoyl-CoA[p] + NAD+[p] => 3-oxo-11-cis-octadecenoyl-CoA[p] + H+[p] + NADH[p] 117.5528197 3.92E-09 Beta oxidation of unsaturated fatty acids (n-7) (peroxisomal) +HMR_3363 3-oxo-11-cis-octadecenoyl-CoA[p] + CoA[p] => acetyl-CoA[p] + palmitoleoyl-CoA[p] 117.5528197 3.92E-09 Beta oxidation of unsaturated fatty acids (n-7) (peroxisomal) +HMR_3218 "(13Z)-docosenoyl-CoA[m] + FAD[m] => FADH2[m] + trans,cis-2,13-docosadienoyl-CoA[m]" 999.9991656 1.62E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3219 "H2O[m] + trans,cis-2,13-docosadienoyl-CoA[m] => 3(S)-hydroxy-13-cis-docosenoyl-CoA[m]" 999.9991656 1.62E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3220 3(S)-hydroxy-13-cis-docosenoyl-CoA[m] + NAD+[m] => 3-oxo-13cis-docosenoyl-CoA[m] + H+[m] + NADH[m] 999.9991656 1.62E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3221 3-oxo-13cis-docosenoyl-CoA[m] + CoA[m] => (11Z)-eicosenoyl-CoA[m] + acetyl-CoA[m] 999.9991656 1.62E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3222 "(11Z)-eicosenoyl-CoA[m] + FAD[m] => FADH2[m] + trans,cis-2,11-eicosadienoyl-CoA[m]" 999.9991656 1.73E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3223 "H2O[m] + trans,cis-2,11-eicosadienoyl-CoA[m] => 3(S)-hydroxy-11-cis-eicosenoyl-CoA[m]" 999.9991656 1.73E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3224 3(S)-hydroxy-11-cis-eicosenoyl-CoA[m] + NAD+[m] => 3-oxo-11-cis-eicosenoyl-CoA[m] + H+[m] + NADH[m] 999.9991656 1.73E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3225 3-oxo-11-cis-eicosenoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + oleoyl-CoA[m] 999.9991656 1.73E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3226 "FAD[m] + oleoyl-CoA[m] => FADH2[m] + trans,cis-octadeca-2,9-dienoyl-CoA[m]" 690.1146527 1.92E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3227 "H2O[m] + trans,cis-octadeca-2,9-dienoyl-CoA[m] => (S)-3-hydroxyoleyleoyl-CoA[m]" 690.1146527 1.92E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3228 (S)-3-hydroxyoleyleoyl-CoA[m] + NAD+[m] => 3-oxooleoyl-CoA[m] + H+[m] + NADH[m] 690.1146527 1.92E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3229 3-oxooleoyl-CoA[m] + CoA[m] => 7-hexadecenoyl-CoA[m] + acetyl-CoA[m] 690.1146092 1.86E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3230 "7-hexadecenoyl-CoA[m] + FAD[m] => FADH2[m] + trans,cis-hexadeca-2,7-dienoyl-CoA[m]" 151.6953537 2.07E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3231 "H2O[m] + trans,cis-hexadeca-2,7-dienoyl-CoA[m] => (S)-3-hydroxy-7-hexadecenoyl-CoA[m]" 151.6953537 2.07E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3232 (S)-3-hydroxy-7-hexadecenoyl-CoA[m] + NAD+[m] => 3-oxo-7-hexadecenoyl-CoA[m] + H+[m] + NADH[m] 151.6953537 2.07E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3233 3-oxo-7-hexadecenoyl-CoA[m] + CoA[m] => 5-tetradecenoyl-CoA[m] + acetyl-CoA[m] 151.6953537 2.07E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3234 "5-tetradecenoyl-CoA[m] + FAD[m] => FADH2[m] + trans,cis-myristo-2,5-dienoyl-CoA[m]" 173.1515495 2.01E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3235 "H2O[m] + trans,cis-myristo-2,5-dienoyl-CoA[m] => cis-(3S)-hydroxytetradec-5-enoyl-CoA[m]" 173.1515495 2.01E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3236 cis-(3S)-hydroxytetradec-5-enoyl-CoA[m] + NAD+[m] => 3-oxomyrist-5-enoyl-CoA[m] + H+[m] + NADH[m] 173.1515495 2.01E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3237 3-oxomyrist-5-enoyl-CoA[m] + CoA[m] => (3Z)-dodecenoyl-CoA[m] + acetyl-CoA[m] 173.1515495 2.01E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3239 (2E)-dodecenoyl-CoA[m] <=> (3Z)-dodecenoyl-CoA[m] 173.1515495 2.01E-05 Beta oxidation of unsaturated fatty acids (n-9) (mitochondrial) +HMR_3275 "FAD[m] + linoleoyl-CoA[m] => FADH2[m] + trans,cis,cis-2,9,12-octadecatrienoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3277 "H2O[m] + trans,cis,cis-2,9,12-octadecatrienoyl-CoA[m] => (3S)-3-hydroxylinoleoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3278 (3S)-3-hydroxylinoleoyl-CoA[m] + NAD+[m] => 3-oxolinoleoyl-CoA[m] + H+[m] + NADH[m] 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3279 "3-oxolinoleoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + cis,cis-palmito-7,10-dienoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3280 "cis,cis-palmito-7,10-dienoyl-CoA[m] + FAD[m] => FADH2[m] + trans,cis,cis-2,7,10-hexadecatrienoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3281 "H2O[m] + trans,cis,cis-2,7,10-hexadecatrienoyl-CoA[m] => (3S)-3-hydroxy-cis,cis-palmito-7,10-dienoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3282 "(3S)-3-hydroxy-cis,cis-palmito-7,10-dienoyl-CoA[m] + NAD+[m] => 3-oxo-cis,cis-7,10-hexadecadienoyl-CoA[m] + H+[m] + NADH[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3283 "3-oxo-cis,cis-7,10-hexadecadienoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + cis,cis-myristo-5,8-dienoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3284 "cis,cis-myristo-5,8-dienoyl-CoA[m] + FAD[m] => FADH2[m] + trans-2-cis,cis-5,8-tetradecatrienoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3285 "H2O[m] + trans-2-cis,cis-5,8-tetradecatrienoyl-CoA[m] => 3(S)-hydroxy-(5Z,8Z)-tetradecadienoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3286 "3(S)-hydroxy-(5Z,8Z)-tetradecadienoyl-CoA[m] + NAD+[m] => 3-oxo-cis,cis-5,8-tetradecadienoyl-CoA[m] + H+[m] + NADH[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3287 "3-oxo-cis,cis-5,8-tetradecadienoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + cis,cis-3,6-dodecadienoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3288 "cis,cis-3,6-dodecadienoyl-CoA[m] => trans,cis-lauro-2,6-dienoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3290 "H2O[m] + trans,cis-lauro-2,6-dienoyl-CoA[m] => (3S)-3-hydroxydodec-cis-6-enoyl-CoA[m]" 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3292 (3S)-3-hydroxydodec-cis-6-enoyl-CoA[m] + NAD+[m] => 3-oxolaur-6-cis-enoyl-CoA[m] + H+[m] + NADH[m] 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3293 3-oxolaur-6-cis-enoyl-CoA[m] + CoA[m] => 4-cis-decenoyl-CoA[m] + acetyl-CoA[m] 333.7840094 2.85E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3294 4-cis-decenoyl-CoA[m] + FAD[m] => 2-trans-4-cis-decadienoyl-CoA[m] + FADH2[m] 333.7840094 2.89E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3296 2-trans-4-cis-decadienoyl-CoA[m] + H+[m] + NADH[m] => NAD+[m] + trans-3-decenoyl-CoA[m] 333.7840094 2.89E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_3298 (2E)-decenoyl-CoA[m] <=> trans-3-decenoyl-CoA[m] 337.0368896 2.89E-05 Beta oxidation of di-unsaturated fatty acids (n-6) (mitochondrial) +HMR_6907 "2-methoxy-6-(all-trans-decaprenyl)phenol[m] + H+[m] + NADPH[m] + O2[m] => 2-methoxy-6-all trans-decaprenyl-2-methoxy-1,4-benzoquinol[m] + H2O[m] + NADP+[m]" 3.17E-07 3.17E-07 Terpenoid backbone biosynthesis +HMR_6908 "2-methoxy-6-all trans-decaprenyl-2-methoxy-1,4-benzoquinol[m] + SAM[m] => 6-methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol[m] + H+[m] + SAH[m]" 3.17E-07 3.17E-07 Terpenoid backbone biosynthesis +HMR_6909 "6-methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol[m] + H+[m] + NADPH[m] + O2[m] => 3-demethylubiquinol-10[m] + H2O[m] + NADP+[m]" 3.17E-07 3.17E-07 Terpenoid backbone biosynthesis +HMR_6910 3-demethylubiquinol-10[m] + SAM[m] => H+[m] + SAH[m] + ubiquinol[m] 3.17E-07 3.17E-07 Terpenoid backbone biosynthesis +HMR_1644 "3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoyl-CoA[m] + H2O[m] => (24R,25R)3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoyl-CoA[m]" 60.60585817 1.48E-08 Steroid metabolism +HMR_1920 cholesterol-sulfate[c] + H2O[c] => cholesterol[c] + H+[c] + sulfate[c] 1000 0.000140731 Steroid metabolism +HMR_7976 H+[c] + NADPH[c] + progesterone[c] => 20alpha-hydroxy-4-pregnen-3-one[c] + NADP+[c] 1000 0.000706792 Steroid metabolism +HMR_1440 2 H+[c] + HMG-CoA[c] + 2 NADPH[c] => (R)-mevalonate[c] + CoA[c] + 2 NADP+[c] 505.848983 2.17E-06 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1445 (R)-mevalonate[c] + ATP[c] => (R)-5-phosphomevalonate[c] + ADP[c] + H+[c] 505.848983 2.17E-06 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1454 isopentenyl-pPP[c] => dimethylallyl-PP[c] 168.6163277 7.23E-07 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1467 H+[c] + NADPH[c] + presqualene-PP[c] => NADP+[c] + PPi[c] + squalene[c] 84.30816383 3.62E-07 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1470 "H+[c] + NADPH[c] + O2[c] + squalene[c] => H2O[c] + NADP+[c] + squalene 2,3-oxide[c]" 84.30816383 3.62E-07 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1473 "squalene 2,3-oxide[c] => lanosterol[c]" 84.30816383 3.62E-07 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1477 "H+[c] + lanosterol[c] + NADPH[c] + O2[c] => 4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + H2O[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1478 "4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + 2 H2O[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1479 "4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + NADPH[c] + O2[c] => 4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol[c] + formate[c] + H2O[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1484 "4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol[c] + H+[c] + NADPH[c] => 14-demethyllanosterol[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1490 "14-demethyllanosterol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + H2O[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1493 "4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + 2 H2O[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1494 "4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + H2O[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1495 "4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + NADP+[c] => 3-keto-4-methylzymosterol[c] + CO2[c] + H+[c] + NADPH[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1496 "4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + NAD+[c] => 3-keto-4-methylzymosterol[c] + CO2[c] + H+[c] + NADH[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1502 "4alpha-methylzymosterol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + H2O[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1503 "4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + 2 H2O[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1504 "4alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol[c] + H2O[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1505 "4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol[c] + NADP+[c] => 5alpha-cholesta-8,24-dien-3-one[c] + CO2[c] + H+[c] + NADPH[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1509 "5alpha-cholesta-8,24-dien-3-one[c] + H+[c] + NADPH[c] => NADP+[c] + zymosterol[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1512 "zymosterol[c] => 5alpha-cholesta-7,24-dien-3beta-ol[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1516 "5alpha-cholesta-7,24-dien-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 7-dehydrodesmosterol[c] + 2 H2O[c] + NADP+[c]" 84.3083787 0.00021523 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1519 7-dehydrodesmosterol[c] + H+[c] + NADPH[c] => desmosterol[c] + NADP+[c] 84.3083787 0.00021523 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1526 desmosterol[c] + H+[c] + NADPH[c] => cholesterol[c] + NADP+[c] 84.3083787 0.00021523 Cholesterol biosynthesis 1 (Bloch pathway) +HMR_1533 "5alpha-cholesta-7,24-dien-3beta-ol[c] + H+[c] + NADPH[c] => lathosterol[c] + NADP+[c]" 84.30837933 0.000215861 Cholesterol biosynthesis 2 +HMR_1557 H+[c] + lathosterol[c] + NADH[c] + O2[c] => 2 H2O[c] + NAD+[c] + provitamin D3[c] 84.30837933 0.000215861 Cholesterol biosynthesis 2 +HMR_1558 H+[c] + lathosterol[c] + NADPH[c] + O2[c] => 2 H2O[c] + NADP+[c] + provitamin D3[c] 84.30837933 0.000215861 Cholesterol biosynthesis 2 +HMR_1565 H+[c] + NADPH[c] + provitamin D3[c] => cholesterol[c] + NADP+[c] 84.3083787 0.00021523 Cholesterol biosynthesis 2 +HMR_1535 "H+[c] + lanosterol[c] + NADPH[c] => 24,25-dihydrolanosterol[c] + NADP+[c]" 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1536 "24,25-dihydrolanosterol[c] + H+[c] + NADPH[c] + O2[c] => 4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol[c] + H2O[c] + NADP+[c]" 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1538 "4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol[c] + 2 H2O[c] + NADP+[c]" 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1539 "4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol[c] + NADPH[c] + O2[c] => 4,4-dimethyl-5alpha-cholesta-8,14-dien-3-beta-ol[c] + formate[c] + H2O[c] + NADP+[c]" 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1540 "4,4-dimethyl-5alpha-cholesta-8,14-dien-3-beta-ol[c] + H+[c] + NADPH[c] => 4,4-dimethyl-5alpha-cholesta-8-en-3-beta-ol[c] + NADP+[c]" 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1543 "4,4-dimethyl-5alpha-cholesta-8-en-3-beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol[c] + H2O[c] + NADP+[c]" 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1544 4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol[c] + 2 H2O[c] + NADP+[c] 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1545 4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol[c] + H2O[c] + NADP+[c] 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1546 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol[c] + NADP+[c] => 4alpha-methyl-5alpha-cholesta-8-en-3-one[c] + CO2[c] + H+[c] + NADPH[c] 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1547 4alpha-methyl-5alpha-cholesta-8-en-3-one[c] + H+[c] + NADPH[c] => 4alpha-methyl-cholesta-8-enol[c] + NADP+[c] 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1548 4alpha-methyl-cholesta-8-enol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol[c] + H2O[c] + NADP+[c] 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1549 4alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-formyl-5alpha-cholesta-8-en-3beta-ol[c] + 2 H2O[c] + NADP+[c] 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1550 4alpha-formyl-5alpha-cholesta-8-en-3beta-ol[c] + H+[c] + NADPH[c] + O2[c] => 4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol[c] + H2O[c] + NADP+[c] 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1551 4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol[c] + NADP+[c] => 5alpha-cholesta-8-en-3-one[c] + CO2[c] + H+[c] + NADPH[c] 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1552 5alpha-cholesta-8-en-3-one[c] + H+[c] + NADPH[c] => cholestenol[c] + NADP+[c] 84.30837933 0.000215802 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1553 cholestenol[c] => lathosterol[c] 84.30837933 0.000215861 Cholesterol biosynthesis 3 (Kandustch-Russell pathway) +HMR_1437 acetoacetyl-CoA[c] + acetyl-CoA[c] + H2O[c] => CoA[c] + H+[c] + HMG-CoA[c] 505.848983 2.17E-06 Cholesterol metabolism +HMR_1451 (R)-5-diphosphomevalonate[c] + ATP[c] => ADP[c] + CO2[c] + isopentenyl-pPP[c] + Pi[c] 505.848983 2.17E-06 Cholesterol metabolism +HMR_1457 dimethylallyl-PP[c] + isopentenyl-pPP[c] => geranyl-PP[c] + PPi[c] 168.6163277 7.23E-07 Cholesterol metabolism +HMR_1460 geranyl-PP[c] + isopentenyl-pPP[c] => farnesyl-PP[c] + PPi[c] 168.6163277 7.23E-07 Cholesterol metabolism +HMR_1570 H+[c] + NADPH[c] + zymosterol[c] => cholestenol[c] + NADP+[c] 84.30837933 0.000215861 Cholesterol metabolism +HMR_1576 acetoacetate[m] + ATP[m] + CoA[m] => acetoacetyl-CoA[m] + AMP[m] + PPi[m] 499.9980271 0.000588169 Cholesterol metabolism +HMR_3625 cholesterol[r] + lauroyl-CoA[r] => cholesterol-ester-laur[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3626 cholesterol[r] + tridecanoyl-CoA[r] => cholesterol-ester-tridec[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3627 cholesterol[r] + myristoyl-CoA[r] => cholesterol-ester-myrist[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3628 (9E)-tetradecenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-9-tetrade[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3629 (7Z)-tetradecenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-7-tetrade[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3630 5-tetradecenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-5-tetra[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3631 cholesterol[r] + pentadecanoyl-CoA[r] => cholesterol-ester-penta[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3632 cholesterol[r] + palmitoyl-CoA[r] => cholesterol-ester-palm[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3633 7-hexadecenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-7-hexa[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3634 cholesterol[r] + palmitoleoyl-CoA[r] => cholesterol-ester-palmn[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3635 cholesterol[r] + heptadecanoyl-CoA[r] => cholesterol-ester-hepta[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3636 (10Z)-heptadecenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-10-hepta[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3637 9-heptadecenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-9-heptade[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3638 cholesterol[r] + stearoyl-CoA[r] => cholesterol-ester-stea[r] + CoA[r] 285.7133316 0.000110625 Formation and hydrolysis of cholesterol esters +HMR_3639 (13Z)-octadecenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-13-octade[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3640 cholesterol[r] + cis-vaccenoyl-CoA[r] => cholesterol-ester-cis-vac[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3641 cholesterol[r] + oleoyl-CoA[r] => cholesterol-ester-ol[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3642 (9E)-octadecenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-9-octa[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3644 "(6Z,9Z)-octadecadienoyl-CoA[r] + cholesterol[r] => cholesterol-ester-6,9-octa[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3645 cholesterol[r] + nonadecanoyl-CoA[r] => cholesterol-ester-nanode[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3646 cholesterol[r] + eicosanoyl-CoA[r] => cholesterol-ester-eico[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3647 (13Z)-eicosenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-13-eicose[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3648 (11Z)-eicosenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-11-eico[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3649 9-eicosenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-9-eicose[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3650 "(8Z,11Z)-eicosadienoyl-CoA[r] + cholesterol[r] => cholesterol-ester-8,11-eico[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3651 "(5Z,8Z,11Z)-eicosatrienoyl-CoA[r] + cholesterol[r] => cholesterol-ester-5,8,11-eico[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3652 cholesterol[r] + heneicosanoyl-CoA[r] => cholesterol-ester-heneico[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3653 cholesterol[r] + docosanoyl-CoA[r] => cholesterol-ester-docosa[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3654 (13Z)-docosenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-13-docose[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3655 (11Z)-docosenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-11-docose[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3656 cholesterol[r] + tricosanoyl-CoA[r] => cholesterol-ester-trico[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3657 cholesterol[r] + tetracosanoyl-CoA[r] => cholesterol-ester-tetraco[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3658 (15Z)-tetracosenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-15-tetra[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3659 cholesterol[r] + hexacosanoyl-CoA[r] => cholesterol-ester-hexacosa[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3660 cholesterol[r] + hexacosenoyl-CoA[r] => cholesterol-ester-hexecose[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3661 cholesterol[r] + linolenoyl-CoA[r] => cholesterol-ester-linolen[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3662 "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-6,9,12,15-octa[r] + CoA[r]" 285.7133316 5.51E-05 Formation and hydrolysis of cholesterol esters +HMR_3663 "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-8,11,14,17-eico[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3664 "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-5,8,11,14,17-eico[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3665 "(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-7,10,13,16,19-docosa[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3666 "(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-9,12,15,18,21-tetra[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3667 "(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-6,9,12,15,18,21-tetra[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3668 "(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-4,7,10,13,16,19-doco[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3669 "(11Z,14Z,17Z)-eicosatrienoyl-CoA[r] + cholesterol[r] => cholesterol-ester-11,14,17-eico[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3670 "13,16,19-docosatrienoyl-CoA[r] + cholesterol[r] => cholesterol-ester-13,16,19-doco[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3673 cholesterol[r] + linoleoyl-CoA[r] => cholesterol-ester-lin[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3674 cholesterol[r] + gamma-linolenoyl-CoA[r] => cholesterol-ester-gamma-lin[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3675 cholesterol[r] + dihomo-gamma-linolenoyl-CoA[r] => cholesterol-ester-dihomo-gamma[r] + CoA[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3676 arachidonyl-CoA[r] + cholesterol[r] => cholesterol-ester-arach[r] + CoA[r] 285.7133316 0.000114086 Formation and hydrolysis of cholesterol esters +HMR_3677 "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-7,10,13,16-docosa[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3678 "(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-9,12,15,18-tetraco[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3679 "(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-6,9,12,15,18-tetraco[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3680 "(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[r] + cholesterol[r] => cholesterol-ester-4,7,10,13,16-docosa[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3681 "(11Z,14Z)-eicosadienoyl-CoA[r] + cholesterol[r] => cholesterol-ester-11,14-eicosa[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3682 "(13Z,16Z)-docosadienoyl-CoA[r] + cholesterol[r] => cholesterol-ester-13,16-docosa[r] + CoA[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3684 cholesterol-ester-laur[r] + H2O[r] => cholesterol[r] + H+[r] + lauric acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3685 cholesterol-ester-tridec[r] + H2O[r] => cholesterol[r] + H+[r] + tridecylic acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3686 cholesterol-ester-myrist[r] + H2O[r] => cholesterol[r] + H+[r] + myristic acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3687 cholesterol-ester-9-tetrade[r] + H2O[r] => (9E)-tetradecenoic acid[r] + cholesterol[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3688 cholesterol-ester-7-tetrade[r] + H2O[r] => (7Z)-tetradecenoic acid[r] + cholesterol[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3689 cholesterol-ester-5-tetra[r] + H2O[r] => cholesterol[r] + H+[r] + physeteric acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3690 cholesterol-ester-penta[r] + H2O[r] => cholesterol[r] + H+[r] + pentadecylic acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3691 cholesterol-ester-palm[r] + H2O[r] => cholesterol[r] + H+[r] + palmitate[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3692 cholesterol-ester-7-hexa[r] + H2O[r] => 7-palmitoleic acid[r] + cholesterol[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3693 cholesterol-ester-palmn[r] + H2O[r] => cholesterol[r] + H+[r] + palmitolate[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3694 cholesterol-ester-hepta[r] + H2O[r] => cholesterol[r] + H+[r] + margaric acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3695 cholesterol-ester-10-hepta[r] + H2O[r] => (10Z)-heptadecenoic acid[r] + cholesterol[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3696 cholesterol-ester-9-heptade[r] + H2O[r] => 9-heptadecylenic acid[r] + cholesterol[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3697 cholesterol-ester-stea[r] + H2O[r] => cholesterol[r] + H+[r] + stearate[r] 285.7133316 0.000110625 Formation and hydrolysis of cholesterol esters +HMR_3698 cholesterol-ester-13-octade[r] + H2O[r] => (13Z)-octadecenoic acid[r] + cholesterol[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3699 cholesterol-ester-cis-vac[r] + H2O[r] => cholesterol[r] + cis-vaccenic acid[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3700 cholesterol-ester-ol[r] + H2O[r] => cholesterol[r] + H+[r] + oleate[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3701 cholesterol-ester-9-octa[r] + H2O[r] => cholesterol[r] + elaidate[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3703 "cholesterol-ester-6,9-octa[r] + H2O[r] => (6Z,9Z)-octadecadienoic acid[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3704 cholesterol-ester-nanode[r] + H2O[r] => cholesterol[r] + H+[r] + nonadecylic acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3705 cholesterol-ester-eico[r] + H2O[r] => cholesterol[r] + eicosanoate[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3706 cholesterol-ester-13-eicose[r] + H2O[r] => (13Z)-eicosenoic acid[r] + cholesterol[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3707 cholesterol-ester-11-eico[r] + H2O[r] => cholesterol[r] + cis-gondoic acid[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3708 cholesterol-ester-9-eicose[r] + H2O[r] => 9-eicosenoic acid[r] + cholesterol[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3709 "cholesterol-ester-8,11-eico[r] + H2O[r] => 8,11-eicosadienoic acid[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3710 "cholesterol-ester-5,8,11-eico[r] + H2O[r] => cholesterol[r] + H+[r] + mead acid[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3711 cholesterol-ester-heneico[r] + H2O[r] => cholesterol[r] + H+[r] + henicosanoic acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3712 cholesterol-ester-docosa[r] + H2O[r] => behenic acid[r] + cholesterol[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3713 cholesterol-ester-13-docose[r] + H2O[r] => cholesterol[r] + cis-erucic acid[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3714 cholesterol-ester-11-docose[r] + H2O[r] => cholesterol[r] + cis-cetoleic acid[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3715 cholesterol-ester-trico[r] + H2O[r] => cholesterol[r] + H+[r] + tricosanoic acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3716 cholesterol-ester-tetraco[r] + H2O[r] => cholesterol[r] + H+[r] + lignocerate[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3717 cholesterol-ester-15-tetra[r] + H2O[r] => cholesterol[r] + H+[r] + nervonic acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3718 cholesterol-ester-hexacosa[r] + H2O[r] => cerotic acid[r] + cholesterol[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3719 cholesterol-ester-hexecose[r] + H2O[r] => cholesterol[r] + H+[r] + ximenic acid[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3720 cholesterol-ester-linolen[r] + H2O[r] => cholesterol[r] + H+[r] + linolenate[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3721 "cholesterol-ester-6,9,12,15-octa[r] + H2O[r] => cholesterol[r] + H+[r] + stearidonic acid[r]" 285.7133316 5.51E-05 Formation and hydrolysis of cholesterol esters +HMR_3722 "cholesterol-ester-8,11,14,17-eico[r] + H2O[r] => cholesterol[r] + H+[r] + omega-3-arachidonic acid[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3723 "cholesterol-ester-5,8,11,14,17-eico[r] + H2O[r] => cholesterol[r] + EPA[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3724 "cholesterol-ester-7,10,13,16,19-docosa[r] + H2O[r] => cholesterol[r] + DPA[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3725 "cholesterol-ester-9,12,15,18,21-tetra[r] + H2O[r] => (9Z,12Z,15Z,18Z,21Z)-TPA[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3726 "cholesterol-ester-6,9,12,15,18,21-tetra[r] + H2O[r] => (6Z,9Z,12Z,15Z,18Z,21Z)-THA[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3727 "cholesterol-ester-4,7,10,13,16,19-doco[r] + H2O[r] => cholesterol[r] + DHA[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3728 "cholesterol-ester-11,14,17-eico[r] + H2O[r] => (11Z,14Z,17Z)-eicosatrienoic acid[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3729 "cholesterol-ester-13,16,19-doco[r] + H2O[r] => 13,16,19-docosatrienoic acid[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3732 cholesterol-ester-lin[r] + H2O[r] => cholesterol[r] + H+[r] + linoleate[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3733 cholesterol-ester-gamma-lin[r] + H2O[r] => cholesterol[r] + gamma-linolenate[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3734 cholesterol-ester-dihomo-gamma[r] + H2O[r] => cholesterol[r] + dihomo-gamma-linolenate[r] + H+[r] 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3735 cholesterol-ester-arach[r] + H2O[r] => arachidonate[r] + cholesterol[r] + H+[r] 285.7133316 0.000114086 Formation and hydrolysis of cholesterol esters +HMR_3736 "cholesterol-ester-7,10,13,16-docosa[r] + H2O[r] => adrenic acid[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3737 "cholesterol-ester-9,12,15,18-tetraco[r] + H2O[r] => (9Z,12Z,15Z,18Z)-TTA[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3738 "cholesterol-ester-6,9,12,15,18-tetraco[r] + H2O[r] => (6Z,9Z,12Z,15Z,18Z)-TPA[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3739 "cholesterol-ester-4,7,10,13,16-docosa[r] + H2O[r] => (4Z,7Z,10Z,13Z,16Z)-DPA[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3740 "cholesterol-ester-11,14-eicosa[r] + H2O[r] => (11Z,14Z)-eicosadienoic acid[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_3741 "cholesterol-ester-13,16-docosa[r] + H2O[r] => (13Z,16Z)-docosadienoic acid[r] + cholesterol[r] + H+[r]" 285.7133316 2.42E-05 Formation and hydrolysis of cholesterol esters +HMR_0736 "ceramide pool[c] + PC-LD pool[c] => 1,2-diacylglycerol-LD-PC pool[c] + SM pool[c]" 999.9998963 6.78E-05 Sphingolipid metabolism +HMR_0738 H+[c] + palmitoyl-CoA[c] + serine[c] => 3-dehydrosphinganine[c] + CO2[c] + CoA[c] 149.4964389 2.02E-05 Sphingolipid metabolism +HMR_0741 3-dehydrosphinganine[c] + H+[c] + NADPH[c] => NADP+[c] + sphinganine[c] 149.4964389 2.02E-05 Sphingolipid metabolism +HMR_0744 ATP[c] + sphinganine[c] => ADP[c] + H+[c] + sphinganine-1-phosphate[c] 1000 7.16E-05 Sphingolipid metabolism +HMR_0746 H2O[c] + sphinganine-1-phosphate[c] => Pi[c] + sphinganine[c] 1000 7.16E-05 Sphingolipid metabolism +HMR_0748 ethanolamine-phosphate[c] + hexadecanal[c] => sphinganine-1-phosphate[c] 1000 3.45E-05 Sphingolipid metabolism +HMR_0750 sphinganine[c] + acyl-CoA pool[c] => CoA[c] + dihydroceramide pool[c] + H+[c] 1000 8.34E-05 Sphingolipid metabolism +HMR_0753 dihydroceramide pool[c] + H2O[c] <=> sphinganine[c] + fatty acid pool[c] 999.9999972 0.000201285 Sphingolipid metabolism +HMR_0754 dihydroceramide pool[c] + H+[c] + NADPH[c] + O2[c] => ceramide pool[c] + 2 H2O[c] + NADP+[c] 999.9960542 0.000138225 Sphingolipid metabolism +HMR_0758 ceramide pool[c] + CoA[c] + H+[c] => sphingosine[c] + acyl-CoA pool[c] 1000 3.45E-05 Sphingolipid metabolism +HMR_0760 ATP[c] + ceramide pool[c] => ADP[c] + ceramide-1P pool[c] + H+[c] 1000 0.000608287 Sphingolipid metabolism +HMR_0761 ceramide pool[c] + UDP-glucose[c] => glucosylceramide pool[c] + H+[c] + UDP[c] 999.9968577 3.60E-06 Sphingolipid metabolism +HMR_0762 glucosylceramide pool[c] + H2O[c] => ceramide pool[c] + glucose[c] 999.9968577 3.60E-06 Sphingolipid metabolism +HMR_0766 galactose[s] + glucosylceramide pool[s] => H2O[s] + LacCer pool[s] 89.19878275 9.19E-11 Sphingolipid metabolism +HMR_0767 ceramide-1P pool[c] + H2O[c] => ceramide pool[c] + Pi[c] 1000 0.000608287 Sphingolipid metabolism +HMR_0773 ATP[c] + sphingosine[c] => ADP[c] + H+[c] + sphingosine-1-phosphate[c] 1000 7.16E-05 Sphingolipid metabolism +HMR_0775 H2O[c] + sphingosine-1-phosphate[c] => Pi[c] + sphingosine[c] 1000 7.16E-05 Sphingolipid metabolism +HMR_0779 sphingosine-1-phosphate[c] => ethanolamine-phosphate[c] + hexadecenal[c] 1000 3.45E-05 Sphingolipid metabolism +HMR_0781 H+[c] + hexadecenal[c] + NADPH[c] => hexadecanal[c] + NADP+[c] 1000 3.45E-05 Sphingolipid metabolism +HMR_0783 H2O[s] + sphingosine-1-phosphate[s] => Pi[s] + sphingosine[s] 149.4964389 2.02E-05 Sphingolipid metabolism +HMR_0795 H2O[c] + SM pool[c] => ceramide pool[c] + H+[c] + phosphocholine[c] 999.9998963 6.78E-05 Sphingolipid metabolism +HMR_8219 dihydroceramide pool[c] + NADP+[c] => ceramide pool[c] + H+[c] + NADPH[c] 1000 0.0001382 Sphingolipid metabolism +HMR_8245 H2O[c] + SM pool[c] => sphingosylphosphorylcholine[c] + fatty acid pool[c] 999.9998963 3.27E-05 Sphingolipid metabolism +HMR_8246 H2O[c] + sphingosylphosphorylcholine[c] => H+[c] + phosphocholine[c] + sphingosine[c] 999.9998963 3.27E-05 Sphingolipid metabolism +HMR_0453 glyceraldehyde[c] + H+[c] + NADPH[c] <=> glycerol[c] + NADP+[c] 499.9999986 2.45E-06 Glycerolipid metabolism +HMR_0456 glyceraldehyde[c] + H2O[c] + NAD+[c] => glycerate[c] + 2 H+[c] + NADH[c] 499.9999986 2.45E-06 Glycerolipid metabolism +HMR_0588 1-acylglycerol-3P pool[c] + acyl-CoA pool[c] => CoA[c] + phosphatidate-LD-TAG pool[c] 999.9999972 0.000135352 Glycerolipid metabolism +HMR_0596 "H2O[c] + phosphatidate-LD-TAG pool[c] => 1,2-diacylglycerol-LD-TAG pool[c] + Pi[c]" 1000 0.00165765 Glycerolipid metabolism +HMR_0673 1-acylglycerol-LD-TG1 pool[c] + ATP[c] => ADP[c] + H+[c] + 1-acylglycerol-3P pool[c] 999.9999972 0.000135352 Glycerolipid metabolism +HMR_0674 1-acylglycerol-LD-PC pool[c] + ATP[c] => ADP[c] + H+[c] + 1-acylglycerol-3P pool[c] 999.9999972 0.000135352 Glycerolipid metabolism +HMR_0675 1-acylglycerol-LD-PE pool[c] + ATP[c] => ADP[c] + H+[c] + 1-acylglycerol-3P pool[c] 999.9999972 0.00013538 Glycerolipid metabolism +HMR_0676 1-acylglycerol-LD-PS pool[c] + ATP[c] => ADP[c] + H+[c] + 1-acylglycerol-3P pool[c] 999.9999972 0.000135352 Glycerolipid metabolism +HMR_0677 1-acylglycerol-LD-PI pool[c] + ATP[c] => ADP[c] + H+[c] + 1-acylglycerol-3P pool[c] 999.9998829 0.000135352 Glycerolipid metabolism +HMR_0678 1-acylglycerol-LD-SM pool[c] + ATP[c] => ADP[c] + H+[c] + 1-acylglycerol-3P pool[c] 999.9999972 0.000135352 Glycerolipid metabolism +HMR_0448 ATP[m] + glycerol[m] => ADP[m] + H+[m] + sn-glycerol-3-phosphate[m] 109.7368196 2.46E-06 Glycerophospholipid metabolism +HMR_0450 ATP[c] + glycerol[c] => ADP[c] + H+[c] + sn-glycerol-3-phosphate[c] 499.9999986 2.46E-06 Glycerophospholipid metabolism +HMR_0479 DHAP[c] + H+[c] + NADH[c] => NAD+[c] + sn-glycerol-3-phosphate[c] 1000 0.001873002 Glycerophospholipid metabolism +HMR_0483 sn-glycerol-3-phosphate[c] + ubiquinone[m] => DHAP[c] + ubiquinol[m] 1000 0.001870543 Glycerophospholipid metabolism +HMR_0579 sn-glycerol-3-phosphate[m] + acyl-CoA pool[m] => CoA[m] + 1-acylglycerol-3P pool[m] 110.7025932 1.87E-05 Glycerophospholipid metabolism +HMR_0580 1-acylglycerol-3P pool[m] + acyl-CoA pool[m] => CoA[m] + phosphatidate-CL pool[m] 110.7025932 1.87E-05 Glycerophospholipid metabolism +HMR_0581 CTP[m] + H+[m] + phosphatidate-CL pool[m] => CDP-diacylglycerol-CL pool[m] + PPi[m] 110.7025932 1.87E-05 Glycerophospholipid metabolism +HMR_0589 1-acylglycerol-3P pool[c] + acyl-CoA pool[c] => CoA[c] + phosphatidate-LD-PC pool[c] 1000 0.000489832 Glycerophospholipid metabolism +HMR_0590 1-acylglycerol-3P pool[c] + acyl-CoA pool[c] => CoA[c] + phosphatidate-LD-PE pool[c] 999.9999997 0.000458754 Glycerophospholipid metabolism +HMR_0591 1-acylglycerol-3P pool[c] + acyl-CoA pool[c] => CoA[c] + phosphatidate-LD-PS pool[c] 1000 0.000135352 Glycerophospholipid metabolism +HMR_0592 1-acylglycerol-3P pool[c] + acyl-CoA pool[c] => CoA[c] + phosphatidate-LD-PI pool[c] 999.9998829 0.000135352 Glycerophospholipid metabolism +HMR_0593 1-acylglycerol-3P pool[c] + acyl-CoA pool[c] => CoA[c] + phosphatidate-LD-SM pool[c] 999.9999972 0.000135352 Glycerophospholipid metabolism +HMR_0597 "H2O[c] + phosphatidate-LD-PC pool[c] => 1,2-diacylglycerol-LD-PC pool[c] + Pi[c]" 1000 0.000522417 Glycerophospholipid metabolism +HMR_0598 "H2O[c] + phosphatidate-LD-PE pool[c] => 1,2-diacylglycerol-LD-PE pool[c] + Pi[c]" 999.9999997 0.000460729 Glycerophospholipid metabolism +HMR_0599 "H2O[c] + phosphatidate-LD-PS pool[c] => 1,2-diacylglycerol-LD-PS pool[c] + Pi[c]" 1000 0.000135352 Glycerophospholipid metabolism +HMR_0600 "H2O[c] + phosphatidate-LD-PI pool[c] => 1,2-diacylglycerol-LD-PI pool[c] + Pi[c]" 999.9998829 0.000135352 Glycerophospholipid metabolism +HMR_0601 "H2O[c] + phosphatidate-LD-SM pool[c] => 1,2-diacylglycerol-LD-SM pool[c] + Pi[c]" 999.9999972 0.000135352 Glycerophospholipid metabolism +HMR_0607 CDP-diacylglycerol-LD-PI pool[c] + PPi[c] <=> CTP[c] + H+[c] + phosphatidate-LD-PI pool[c] 1999.999883 0.000486044 Glycerophospholipid metabolism +HMR_0610 CDP-diacylglycerol-LD-PI pool[c] + inositol[c] => CMP[c] + H+[c] + PI pool[c] 999.9998829 0.000368966 Glycerophospholipid metabolism +HMR_0614 "1,2-diacylglycerol-LD-PE pool[c] + CDP-ethanolamine[c] => CMP[c] + H+[c] + PE-LD pool[c]" 1000 0.000360179 Glycerophospholipid metabolism +HMR_0615 "1,2-diacylglycerol-LD-PS pool[c] + CDP-ethanolamine[c] => CMP[c] + H+[c] + PE-PS-LD pool[c]" 999.9996774 3.16E-05 Glycerophospholipid metabolism +HMR_0616 CO2[c] + PE-PS-LD pool[c] => H+[c] + PS-LD pool[c] 999.9996774 3.16E-05 Glycerophospholipid metabolism +HMR_0622 PE-LD pool[c] + serine[c] => ethanolamine[c] + PS-LD pool[c] 1000 0.000361129 Glycerophospholipid metabolism +HMR_0623 PC-LD pool[c] + serine[c] => choline[c] + PS-LD pool[c] 799.6284502 0.000413632 Glycerophospholipid metabolism +HMR_0625 "1,2-diacylglycerol-LD-PC pool[c] + CDP-choline[c] => CMP[c] + H+[c] + PC-LD pool[c]" 1000 0.000422554 Glycerophospholipid metabolism +HMR_0627 H+[c] + PS-LD pool[c] => CO2[c] + PE-LD pool[c] 999.9996774 6.39E-05 Glycerophospholipid metabolism +HMR_0629 H2O[c] + PC-LD pool[c] => choline[c] + H+[c] + phosphatidate-LD-PC pool[c] 1000 6.71E-05 Glycerophospholipid metabolism +HMR_0630 H2O[c] + PC-LD pool[c] => 2-lysolecithin pool[c] + H+[c] + fatty acid pool[c] 999.9999874 0.000132214 Glycerophospholipid metabolism +HMR_0632 2-lysolecithin pool[c] + acyl-CoA pool[c] => CoA[c] + PC-LD pool[c] 1000 0.000134596 Glycerophospholipid metabolism +HMR_0633 2-lysolecithin pool[c] + H2O[c] => H+[c] + sn-glycerol-3-PC[c] + fatty acid pool[c] 500.0000097 2.38E-06 Glycerophospholipid metabolism +HMR_0635 H2O[c] + sn-glycerol-3-PC[c] => choline[c] + H+[c] + sn-glycerol-3-phosphate[c] 500.0000097 2.38E-06 Glycerophospholipid metabolism +HMR_0636 ATP[c] + choline[c] => ADP[c] + H+[c] + phosphocholine[c] 1000 0.000421867 Glycerophospholipid metabolism +HMR_0638 CTP[c] + H+[c] + phosphocholine[c] => CDP-choline[c] + PPi[c] 1000 0.000422554 Glycerophospholipid metabolism +HMR_0642 H2O[c] + PE-LD pool[c] => ethanolamine[c] + H+[c] + phosphatidate-LD-PE pool[c] 999.9999997 5.43E-05 Glycerophospholipid metabolism +HMR_0643 H2O[c] + PE-LD pool[c] => 1-acyl-PE pool[c] + H+[c] + fatty acid pool[c] 999.9999972 0.000132214 Glycerophospholipid metabolism +HMR_0644 1-acyl-PE pool[c] + acyl-CoA pool[c] => CoA[c] + PE-LD pool[c] 999.9999972 0.000132214 Glycerophospholipid metabolism +HMR_0645 1-acyl-PE pool[c] + H2O[c] => H+[c] + sn-glycerol-3-PE[c] + fatty acid pool[c] 499.9999986 2.36E-06 Glycerophospholipid metabolism +HMR_0646 H2O[c] + sn-glycerol-3-PE[c] => ethanolamine[c] + H+[c] + sn-glycerol-3-phosphate[c] 499.9999986 2.36E-06 Glycerophospholipid metabolism +HMR_0648 ATP[c] + ethanolamine[c] => ADP[c] + ethanolamine-phosphate[c] + H+[c] 1000 0.000360179 Glycerophospholipid metabolism +HMR_0651 CTP[c] + ethanolamine-phosphate[c] + H+[c] => CDP-ethanolamine[c] + PPi[c] 1000 0.000360179 Glycerophospholipid metabolism +HMR_0653 PE-LD pool[c] + SAM[c] => H+[c] + PE-NME-LD pool[c] + SAH[c] 333.3333327 4.68E-08 Glycerophospholipid metabolism +HMR_0654 PE-NME-LD pool[c] + SAM[c] => H+[c] + PPE-NME2-LD pool[c] + SAH[c] 333.3333327 4.68E-08 Glycerophospholipid metabolism +HMR_0657 PPE-NME2-LD pool[c] + SAM[c] => H+[c] + PC-LD pool[c] + SAH[c] 333.3333327 4.68E-08 Glycerophospholipid metabolism +HMR_0660 H2O[c] + PS-LD pool[c] => H+[c] + phosphatidate-LD-PS pool[c] + serine[c] 1000 5.89E-05 Glycerophospholipid metabolism +HMR_4627 ethanolamine-phosphate[c] + SAM[c] => H+[c] + N-methylethanolamine-phosphate[c] + SAH[c] 302.9176838 4.69E-08 Glycerophospholipid metabolism +HMR_4838 N-methylethanolamine-phosphate[c] + SAM[c] => 2 H+[c] + phosphodimethylethanolamine[c] + SAH[c] 302.9176838 4.69E-08 Glycerophospholipid metabolism +HMR_4839 phosphodimethylethanolamine[c] + SAM[c] => phosphocholine[c] + SAH[c] 302.9176838 4.69E-08 Glycerophospholipid metabolism +HMR_7611 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine[c] + H2O[c] => 1-organyl-2-lyso-sn-glycero-3-phosphocholine[c] + acetate[c] + H+[c] 1000 0.000471882 Glycerophospholipid metabolism +HMR_7613 1-organyl-2-lyso-sn-glycero-3-phosphocholine[c] + acetyl-CoA[c] => 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine[c] + CoA[c] 1000 0.000471882 Glycerophospholipid metabolism +HMR_7755 ATP[s] + glycerone[s] => ADP[s] + DHAP[s] + H+[s] 1000 0.000347132 Glycerophospholipid metabolism +HMR_8518 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine[c] + H2O[c] => 1-alkyl-2-lysoglycerol-3-phosphocholine[c] + acetate[c] + H+[c] 1000 0.000481969 Glycerophospholipid metabolism +HMR_8521 1-alkyl-2-lysoglycerol-3-phosphocholine[c] + acetyl-CoA[c] => 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine[c] + CoA[c] 1000 0.000481969 Glycerophospholipid metabolism +HMR_0824 CMP-N-acetylneuraminate[c] + LacCer pool[c] => CMP[c] + GM3[c] + H+[c] 1000 7.58E-07 Glycosphingolipid biosynthesis-ganglio series +HMR_0825 GM3[c] + H2O[c] => LacCer pool[c] + N-acetylneuraminate[c] 1000 7.58E-07 Glycosphingolipid biosynthesis-ganglio series +HMR_0837 CMP-N-acetylneuraminate[c] + GM1[c] => CMP[c] + GD1a[c] + H+[c] 1000 0.000684864 Glycosphingolipid biosynthesis-ganglio series +HMR_0838 GD1a[c] + H2O[c] => GM1[c] + N-acetylneuraminate[c] 1000 0.000684864 Glycosphingolipid biosynthesis-ganglio series +HMR_0844 CMP-N-acetylneuraminate[c] + GD1b[c] => CMP[c] + GT1b[c] + H+[c] 1000 0.000684864 Glycosphingolipid biosynthesis-ganglio series +HMR_0845 GT1b[c] + H2O[c] => GD1b[c] + N-acetylneuraminate[c] 1000 0.000684864 Glycosphingolipid biosynthesis-ganglio series +HMR_0846 CMP-N-acetylneuraminate[c] + GT1b[c] => CMP[c] + GQ1b[c] + H+[c] 1000 0.000373748 Glycosphingolipid biosynthesis-ganglio series +HMR_0847 GQ1b[c] + H2O[c] => GT1b[c] + N-acetylneuraminate[c] 1000 0.000373748 Glycosphingolipid biosynthesis-ganglio series +HMR_0849 CMP-N-acetylneuraminate[c] + GA2[c] => CMP[c] + GM2[c] + H+[c] 1000 0.000381599 Glycosphingolipid biosynthesis-ganglio series +HMR_0850 GM2[c] + H2O[c] => GA2[c] + N-acetylneuraminate[c] 1000 0.000381599 Glycosphingolipid biosynthesis-ganglio series +HMR_0801 LacCer pool[c] + UDP-galactose[c] => globotriaosylceramide[c] + H+[c] + UDP[c] 1000 2.05E-11 Glycosphingolipid biosynthesis-globo series +HMR_0803 globotriaosylceramide[c] + H2O[c] => galactose[c] + LacCer pool[c] 1000 2.05E-11 Glycosphingolipid biosynthesis-globo series +HMR_1305 arachidonate[r] + 2 O2[r] => prostaglandin G2[r] 214.2849991 3.21E-05 Prostaglandin biosynthesis +HMR_1307 2 H+[r] + prostaglandin G2[r] => H2O[r] + prostaglandin H2[r] 214.2849991 3.21E-05 Prostaglandin biosynthesis +HMR_1312 prostaglandin H2[c] => prostaglandin E2[c] 333.3320181 0.000123214 Prostaglandin biosynthesis +HMR_1313 prostaglandin H2[r] => thromboxane A2[r] 285.7133316 3.24E-05 Prostaglandin biosynthesis +HMR_1390 dihomo-gamma-linolenate[c] + 2 O2[c] => prostaglandin G1[c] 499.9980271 0.000163216 Prostaglandin biosynthesis +HMR_1394 prostaglandin E1[c] <=> prostaglandin H1[c] 499.9980271 0.000163216 Prostaglandin biosynthesis +HMR_7602 1-(1-alkenyl)-sn-glycero-3-phosphoethanolamine[c] + acyl-CoA pool[c] => CoA[c] + O-1-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine[c] 999.9999972 0.000132214 Ether lipid metabolism +HMR_7603 H2O[c] + O-1-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine[c] => 1-(1-alkenyl)-sn-glycero-3-phosphoethanolamine[c] + H+[c] + fatty acid pool[c] 999.9999972 0.000132214 Ether lipid metabolism +HMR_7614 1-organyl-2-lyso-sn-glycero-3-phosphocholine[c] + acyl-CoA pool[c] => 1-radyl-2-acyl-sn-glycero-3-phosphocholine[c] + CoA[c] 999.9999972 0.000132214 Ether lipid metabolism +HMR_7615 1-radyl-2-acyl-sn-glycero-3-phosphocholine[c] + H2O[c] => 1-organyl-2-lyso-sn-glycero-3-phosphocholine[c] + H+[c] + fatty acid pool[c] 999.9999972 0.000132214 Ether lipid metabolism +HMR_0025 activation-ppara[n] => activation-ppara[c] 1000 0.722116468 Transport reactions +HMR_0030 activation-ppara[c] => activation-ppara[n] 1000 0.722116468 Transport reactions +HMR_1581 cholesterol[r] + H+[r] + NADPH[r] + O2[r] => 7alpha-hydroxycholesterol[r] + H2O[r] + NADP+[r] 79.19578264 3.51E-07 Bile acid biosynthesis +HMR_1584 7alpha-hydroxycholesterol[r] + NAD+[r] => 7alpha-hydroxycholest-4-en-3-one[r] + H+[r] + NADH[r] 79.19578264 3.51E-07 Bile acid biosynthesis +HMR_1585 7alpha-hydroxycholesterol[r] + NADP+[r] => 7alpha-hydroxycholest-4-en-3-one[r] + H+[r] + NADPH[r] 79.19577146 3.51E-07 Bile acid biosynthesis +HMR_1590 "7alpha-hydroxycholest-4-en-3-one[r] + H+[r] + NADH[r] + O2[r] => 7alpha,12alpha-dihydroxycholest-4-en-3-one[r] + H2O[r] + NAD+[r]" 66.114173 3.51E-07 Bile acid biosynthesis +HMR_1595 "7alpha,12alpha-dihydroxycholest-4-en-3-one[c] + H+[c] + NADPH[c] => 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one[c] + NADP+[c]" 62.49979123 3.46E-07 Bile acid biosynthesis +HMR_1599 "7alpha,12alpha-dihydroxy-5beta-cholestan-3-one[c] + H+[c] + NADPH[c] => 5beta-cholestan-3alpha,7alpha,12alpha-triol[c] + NADP+[c]" 62.49979123 3.46E-07 Bile acid biosynthesis +HMR_1604 "5beta-cholestan-3alpha,7alpha,12alpha-triol[c] + H+[c] + NADPH[c] + O2[c] => 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol[c] + H2O[c] + NADP+[c]" 62.49979123 3.46E-07 Bile acid biosynthesis +HMR_1605 "5beta-cholestan-3alpha,7alpha,12alpha-triol[m] + H+[m] + NADPH[m] + O2[m] => 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol[m] + H2O[m] + NADP+[m]" 1000 1.82E-05 Bile acid biosynthesis +HMR_1608 "5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol[c] + NAD+[c] => 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al[c] + H+[c] + NADH[c]" 62.49979123 3.46E-07 Bile acid biosynthesis +HMR_1609 "5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol[m] + NAD+[m] => 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al[m] + H+[m] + NADH[m]" 999.9960542 2.43E-05 Bile acid biosynthesis +HMR_1610 "5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol[m] + NADP+[m] => 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al[m] + H+[m] + NADPH[m]" 999.9960542 2.43E-05 Bile acid biosynthesis +HMR_1611 "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al[c] + H2O[c] + NAD+[c] => 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[c] + 2 H+[c] + NADH[c]" 62.49979123 3.46E-07 Bile acid biosynthesis +HMR_1613 "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al[m] + NADH[m] + O2[m] => 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[m] + H2O[m] + NAD+[m]" 999.9960542 2.43E-05 Bile acid biosynthesis +HMR_1614 "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al[m] + NADPH[m] + O2[m] => 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[m] + H2O[m] + NADP+[m]" 999.9960542 2.43E-05 Bile acid biosynthesis +HMR_1627 "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[c] + ATP[c] + CoA[c] => 25(R)THCA-CoA[c] + AMP[c] + PPi[c]" 60.60585817 1.65E-08 Bile acid biosynthesis +HMR_1635 25(R)THCA-CoA[m] => 25(S)THCA-CoA[m] 60.60585817 1.48E-08 Bile acid biosynthesis +HMR_1637 "25(S)THCA-CoA[m] + O2[m] => 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoyl-CoA[m] + H2O2[m]" 60.60585817 1.48E-08 Bile acid biosynthesis +HMR_1653 "3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA[m] + CoA[m] => choloyl-CoA[m] + propanoyl-CoA[m]" 60.60585817 1.48E-08 Bile acid biosynthesis +HMR_1659 ATP[c] + choloyl-CoA[c] + H2O[c] => ADP[c] + choloyl-CoA[p] + H+[c] + Pi[c] 1000 0.001681601 Bile acid biosynthesis +HMR_1662 choloyl-CoA[m] + H2O[m] => cholate[m] + CoA[m] + H+[m] 60.60585817 1.45E-08 Bile acid biosynthesis +HMR_1666 cholate[m] => cholate[c] 60.60585817 1.45E-08 Transport reactions +HMR_1673 7alpha-hydroxycholest-4-en-3-one[c] + H+[c] + NADPH[c] => 7alpha-hydroxy-5beta-cholestan-3-one[c] + NADP+[c] 75.10605549 3.45E-07 Bile acid biosynthesis +HMR_1676 "7alpha-hydroxy-5beta-cholestan-3-one[c] + H+[c] + NADPH[c] => 5beta-cholestane-3alpha,7alpha-diol[c] + NADP+[c]" 75.10605549 3.45E-07 Bile acid biosynthesis +HMR_1681 "5beta-cholestane-3alpha,7alpha-diol[c] + H+[c] + NADPH[c] + O2[c] => 5beta-cholestane-3alpha,7alpha,26-triol[c] + H2O[c] + NADP+[c]" 75.10605549 3.45E-07 Bile acid biosynthesis +HMR_1682 "5beta-cholestane-3alpha,7alpha-diol[m] + H+[m] + NADPH[m] + O2[m] => 5beta-cholestane-3alpha,7alpha,26-triol[m] + H2O[m] + NADP+[m]" 75.10605549 3.42E-07 Bile acid biosynthesis +HMR_1684 "3alpha,7alpha-dihydroxy-5beta-cholestan-26-al[c] + H+[c] + NADH[c] <=> 5beta-cholestane-3alpha,7alpha,26-triol[c] + NAD+[c]" 150.212111 6.87E-07 Bile acid biosynthesis +HMR_1685 "5beta-cholestane-3alpha,7alpha,26-triol[m] + NADP+[m] => 3alpha,7alpha-dihydroxy-5beta-cholestan-26-al[m] + H+[m] + NADPH[m]" 1000 3.65E-05 Bile acid biosynthesis +HMR_1687 "5beta-cholestane-3alpha,7alpha-diol[m] + H+[m] + NADPH[m] + O2[m] => 5beta-cholestane-3alpha,7alpha,27-triol[m] + H2O[m] + NADP+[m]" 75.10605549 3.42E-07 Bile acid biosynthesis +HMR_1689 "5beta-cholestane-3alpha,7alpha,27-triol[m] + NAD+[m] => 3alpha,7alpha-dihydroxy-5beta-cholestan-27-al[m] + H+[m] + NADH[m]" 75.10605549 3.42E-07 Bile acid biosynthesis +HMR_1691 "3alpha,7alpha-dihydroxy-5beta-cholestan-27-al[m] + H2O[m] + NADP+[m] => 3alpha,7alpha-dihydroxy-5beta-cholestanate[m] + 2 H+[m] + NADPH[m]" 75.10605549 3.42E-07 Bile acid biosynthesis +HMR_1692 "3alpha,7alpha-dihydroxy-5beta-cholestan-26-al[c] + H2O[c] + NAD+[c] <=> 3alpha,7alpha-dihydroxy-5beta-cholestanate[c] + 2 H+[c] + NADH[c]" 150.212111 6.87E-07 Bile acid biosynthesis +HMR_1693 "3alpha,7alpha-dihydroxy-5beta-cholestan-26-al[m] + NADPH[m] + O2[m] => 3alpha,7alpha-dihydroxy-5beta-cholestanate[m] + H2O[m] + NADP+[m]" 999.9960542 3.65E-05 Bile acid biosynthesis +HMR_1694 "3alpha,7alpha-dihydroxy-5beta-cholestanate[c] <=> 3alpha,7alpha-dihydroxy-5beta-cholestanate[m]" 75.10605549 3.42E-07 Transport reactions +HMR_1718 chenodeoxycholoyl-CoA[c] + H2O[c] => chenodiol[c] + CoA[c] + H+[c] 1000 0.000499114 Bile acid biosynthesis +HMR_1726 AMP[c] + chenodeoxycholoyl-CoA[c] + PPi[c] <=> ATP[c] + chenodiol[c] + CoA[c] 1000 0.000499128 Bile acid biosynthesis +HMR_1805 "5beta-cholestane-3alpha,7alpha,12alpha,27-tetraol[m] + H+[m] + NADPH[m] + O2[m] => 5beta-cholestane-3alpha,7alpha,12alpha,27,27-pentaol[m] + H2O[m] + NADP+[m]" 999.9960542 2.43E-05 Bile acid biosynthesis +HMR_3799 H2O[m] + propanoyl-CoA[m] => CoA[m] + H+[m] + propanoate[m] 999.9998959 0.00092075 Bile acid biosynthesis +HMR_1853 ATP[c] + chenodiol[c] + H2O[c] => ADP[c] + chenodiol[s] + H+[c] + Pi[c] 1000 0.001681601 Bile acid recycling +HMR_1868 ATP[c] + glycocholate[c] + H2O[c] => ADP[c] + glycocholate[s] + H+[c] + Pi[c] 1000 0.001681601 Bile acid recycling +HMR_1870 ATP[c] + H2O[c] + taurocholate[c] => ADP[c] + H+[c] + Pi[c] + taurocholate[s] 1000 0.001681601 Bile acid recycling +HMR_1872 ATP[c] + H2O[c] + taurochenodeoxycholate[c] => ADP[c] + H+[c] + Pi[c] + taurochenodeoxycholate[s] 1000 0.001681601 Bile acid recycling +HMR_1874 ATP[c] + glycochenodeoxycholate[c] + H2O[c] => ADP[c] + glycochenodeoxycholate[s] + H+[c] + Pi[c] 1000 0.001681601 Bile acid recycling +HMR_1878 HCO3-[c] + taurocholate[s] => HCO3-[s] + taurocholate[c] 1000 0.83225196 Transport reactions +HMR_1895 ATP[r] + bilirubin-bisglucuronoside[r] + H2O[r] => ADP[r] + bilirubin-bisglucuronoside[s] + H+[r] + Pi[r] 470.5863795 7.14E-05 Transport reactions +HMR_1896 ATP[c] + bilirubin-bisglucuronoside[c] + H2O[c] => ADP[c] + bilirubin-bisglucuronoside[s] + H+[c] + Pi[c] 1000 0.001681601 Bile acid recycling +HMR_1897 ATP[r] + bilirubin-monoglucuronoside[r] + H2O[r] => ADP[r] + bilirubin-monoglucuronoside[s] + H+[r] + Pi[r] 470.5863795 7.14E-05 Transport reactions +HMR_3992 2 ferricytochrome B5[c] + NADH[c] <=> 2 ferrocytochrome B5[c] + H+[c] + NAD+[c] 999.9965796 0.000579003 Nicotinate and nicotinamide metabolism +HMR_4252 H2O[c] + nicotinate ribonucleotide[c] => nicotinate D-ribonucleoside[c] + Pi[c] 1000 0.001217012 Nicotinate and nicotinamide metabolism +HMR_4253 ATP[c] + nicotinate D-ribonucleoside[c] => ADP[c] + H+[c] + nicotinate ribonucleotide[c] 1000 0.001217012 Nicotinate and nicotinamide metabolism +HMR_4255 deamido-NAD[c] + H2O[c] => AMP[c] + 2 H+[c] + nicotinate ribonucleotide[c] 1000 0.000825818 Nicotinate and nicotinamide metabolism +HMR_4263 H2O[c] + NAD+[c] => AMP[c] + 2 H+[c] + nicotinamide D-ribonucleotide[c] 999.9998959 1.93E-07 Nicotinate and nicotinamide metabolism +HMR_4264 H2O[c] + nicotinamide D-ribonucleotide[c] => nicotinamide ribonucleoside[c] + Pi[c] 1000 0.001217012 Nicotinate and nicotinamide metabolism +HMR_4265 ATP[c] + nicotinamide ribonucleoside[c] => ADP[c] + H+[c] + nicotinamide D-ribonucleotide[c] 1000 0.001225244 Nicotinate and nicotinamide metabolism +HMR_4267 ATP[m] + H+[m] + nicotinamide D-ribonucleotide[m] => NAD+[m] + PPi[m] 999.9998959 0.000262894 Nicotinate and nicotinamide metabolism +HMR_4269 ATP[c] + NAD+[c] => ADP[c] + H+[c] + NADP+[c] 999.9999978 0.001109951 Nicotinate and nicotinamide metabolism +HMR_4270 H2O[c] + NADP+[c] => NAD+[c] + Pi[c] 999.9999978 0.001109951 Nicotinate and nicotinamide metabolism +HMR_4271 NADH[m] + NADP+[m] + H+[i] => H+[m] + NAD+[m] + NADPH[m] 1000 0.01140373 Transport reactions +HMR_4662 nicotinate D-ribonucleoside[c] + Pi[c] => H+[c] + nicotinate[c] + ribose-1-phosphate[c] 1000 0.000169391 Nicotinate and nicotinamide metabolism +HMR_7143 H2O[c] + NAD+[c] => ADP-ribose[c] + H+[c] + nicotinamide[c] 999.9998959 0.000262894 Nicotinate and nicotinamide metabolism +HMR_7623 [protein]-L-arginine[c] + NAD+[c] => [protein]-omega-N-(ADP-D-ribosyl)-L-arginine[c] + H+[c] + nicotinamide[c] 999.9998959 0.00024352 Nicotinate and nicotinamide metabolism +HMR_7625 [protein]-L-arginine[c] + H2O[c] + NAD+[c] => [protein][c] + H+[c] + N(omega)-(ADP-D-ribosyl)-L-arginine[c] + nicotinamide[c] 999.9998959 0.00024352 Nicotinate and nicotinamide metabolism +HMR_3871 ATP[c] + dephospho-CoA[c] => ADP[c] + CoA[c] + H+[c] 8.73E-05 3.80E-07 Pantothenate and CoA biosynthesis +HMR_4058 ATP[m] + dephospho-CoA[m] => ADP[m] + CoA[m] + H+[m] 8.73E-05 3.72E-07 Pantothenate and CoA biosynthesis +HMR_4714 ATP[c] + pantetheine[c] => ADP[c] + H+[c] + phosphopantetheine[c] 8.73E-05 3.72E-07 Pantothenate and CoA biosynthesis +HMR_4715 ATP[m] + pantetheine[m] => ADP[m] + H+[m] + phosphopantetheine[m] 8.73E-05 3.72E-07 Pantothenate and CoA biosynthesis +HMR_4716 H+[c] + N-pantothenoylcysteine[c] => CO2[c] + pantetheine[c] 8.73E-05 3.72E-07 Pantothenate and CoA biosynthesis +HMR_4723 CTP[c] + cysteine[c] + D-4-phosphopantothenate[c] => (R)-4-phosphopantothenoyl-cysteine[c] + CMP[c] + H+[c] + PPi[c] 8.73E-05 8.73E-05 Pantothenate and CoA biosynthesis +HMR_4725 (R)-4-phosphopantothenoyl-cysteine[c] + H+[c] => CO2[c] + phosphopantetheine[c] 8.73E-05 3.80E-07 Pantothenate and CoA biosynthesis +HMR_4730 (R)-4-phosphopantothenoyl-cysteine[c] + ADP[c] + H+[c] <=> ATP[c] + N-pantothenoylcysteine[c] 8.73E-05 3.72E-07 Pantothenate and CoA biosynthesis +HMR_4731 (R)-4-phosphopantothenoyl-cysteine[m] + ADP[m] + H+[m] <=> ATP[m] + N-pantothenoylcysteine[m] 8.73E-05 3.72E-07 Pantothenate and CoA biosynthesis +HMR_4732 dephospho-CoA[c] + H2O[c] => AMP[c] + 2 H+[c] + phosphopantetheine[c] 1000 0.000699906 Pantothenate and CoA biosynthesis +HMR_4733 (R)-4-phosphopantothenoyl-cysteine[m] + H+[m] => CO2[m] + phosphopantetheine[m] 8.73E-05 3.72E-07 Pantothenate and CoA biosynthesis +HMR_4734 ATP[m] + H+[m] + phosphopantetheine[m] => dephospho-CoA[m] + PPi[m] 8.73E-05 3.72E-07 Pantothenate and CoA biosynthesis +HMR_0663 "H2O[c] + PI pool[c] => 1,2-diacylglycerol-LD-PI pool[c] + H+[c] + inositol-1-phosphate[c]" 999.9998829 0.000129305 Inositol phosphate metabolism +HMR_4308 inositol-1-phosphate[c] => glucose-6-phosphate[c] 999.9998829 0.000122777 Inositol phosphate metabolism +HMR_6540 H2O[c] + inositol-1-phosphate[c] => inositol[c] + Pi[c] 999.5351195 0.000129305 Inositol phosphate metabolism +HMR_6542 ATP[c] + PI pool[c] => 1-phosphatidyl-1D-myo-inositol-3-phosphate[c] + ADP[c] + H+[c] 1000 1.09E-05 Inositol phosphate metabolism +HMR_6543 1-phosphatidyl-1D-myo-inositol-3-phosphate[c] + H2O[c] => PI pool[c] + Pi[c] 1000 0.000652004 Inositol phosphate metabolism +HMR_6544 "1-phosphatidyl-1D-myo-inositol-3-phosphate[c] + ATP[c] => 1-phosphatidyl-myo-inositol-3,5-bisphosphate[c] + ADP[c] + H+[c]" 1000 0.001650033 Inositol phosphate metabolism +HMR_6545 "1-phosphatidyl-myo-inositol-3,5-bisphosphate[c] + H2O[c] => 1-phosphatidyl-1D-myo-inositol-3-phosphate[c] + Pi[c]" 1000 0.001650033 Inositol phosphate metabolism +HMR_6546 ATP[c] + PI pool[c] => 1-phosphatidyl-1D-myo-inositol-4-phosphate[c] + ADP[c] + H+[c] 1000 0.001088198 Inositol phosphate metabolism +HMR_6549 "1-phosphatidyl-1D-myo-inositol-3,4-bisphosphate[c] + H2O[c] => 1-phosphatidyl-1D-myo-inositol-3-phosphate[c] + Pi[c]" 1000 0.000652004 Inositol phosphate metabolism +HMR_6551 "1-phosphatidyl-1D-myo-inositol-4-phosphate[c] + ATP[c] => ADP[c] + H+[c] + phosphatidylinositol-4,5-bisphosphate[c]" 1000 0.000365678 Inositol phosphate metabolism +HMR_6552 "H2O[c] + phosphatidylinositol-4,5-bisphosphate[c] => 1-phosphatidyl-1D-myo-inositol-4-phosphate[c] + Pi[c]" 1000 0.000365678 Inositol phosphate metabolism +HMR_6553 "H2O[c] + phosphatidylinositol-4,5-bisphosphate[c] => 1-phosphatidyl-1D-myo-inositol-5-phosphate[c] + Pi[c]" 1000 0.000320641 Inositol phosphate metabolism +HMR_6554 "1-phosphatidyl-1D-myo-inositol-5-phosphate[c] + ATP[c] => ADP[c] + H+[c] + phosphatidylinositol-4,5-bisphosphate[c]" 1000 1.36E-05 Inositol phosphate metabolism +HMR_6556 "H2O[c] + phosphatidylinositol-3,4,5-trisphosphate[c] => phosphatidylinositol-4,5-bisphosphate[c] + Pi[c]" 1000 0.001657641 Inositol phosphate metabolism +HMR_6557 "H2O[c] + phosphatidylinositol-3,4,5-trisphosphate[c] => 1-phosphatidyl-1D-myo-inositol-3,4-bisphosphate[c] + Pi[c]" 1000 0.000455172 Inositol phosphate metabolism +HMR_6558 "H2O[c] + phosphatidylinositol-3,4,5-trisphosphate[c] => phosphatidylinositol-3,5-bisphosphate[c] + Pi[c]" 1000 0.000454615 Inositol phosphate metabolism +HMR_6559 "H2O[c] + phosphatidylinositol-4,5-bisphosphate[c] => 1,2-diacylglycerol-LD-PI pool[c] + D-myo-inositol-1,4,5-trisphosphate[c] + H+[c]" 666.3567463 0.00011697 Inositol phosphate metabolism +HMR_6560 "D-myo-inositol-1,4,5-trisphosphate[c] + H2O[c] => 1D-myo-inositol-1,4-bisphosphate[c] + Pi[c]" 666.3567463 0.00011697 Inositol phosphate metabolism +HMR_6561 "1D-myo-inositol-1,4-bisphosphate[c] + H2O[c] => 1D-myo-inositol-4-phosphate[c] + Pi[c]" 799.6280956 0.000125181 Inositol phosphate metabolism +HMR_6562 1D-myo-inositol-4-phosphate[c] + H2O[c] => inositol[c] + Pi[c] 799.6280956 0.000125181 Inositol phosphate metabolism +HMR_6563 "ATP[c] + D-myo-inositol-1,4,5-trisphosphate[c] => 1D-myo-inositol-1,3,4,5-tetrakisphosphate[c] + ADP[c] + H+[c]" 1000 0.00011148 Inositol phosphate metabolism +HMR_6564 "1D-myo-inositol-1,3,4,5-tetrakisphosphate[c] + H2O[c] => D-myo-inositol-1,4,5-trisphosphate[c] + Pi[c]" 1000 1.13E-05 Inositol phosphate metabolism +HMR_6565 "1D-myo-inositol-1,3,4,5-tetrakisphosphate[c] + H2O[c] => 1D-myo-inositol-1,3,4-trisphosphate[c] + Pi[c]" 1000 0.001667881 Inositol phosphate metabolism +HMR_6566 "1D-myo-inositol-1,3,4-trisphosphate[c] + ATP[c] => 1D-myo-inositol-1,3,4,5-tetrakisphosphate[c] + ADP[c] + H+[c]" 1000 0.001667881 Inositol phosphate metabolism +HMR_6569 "1D-myo-inositol-1,3,4-trisphosphate[c] + H2O[c] => 1D-myo-inositol-3,4-bisphosphate[c] + Pi[c]" 571.1629254 0.000111224 Inositol phosphate metabolism +HMR_6570 "1D-myo-inositol-3,4-bisphosphate[c] + H2O[c] => 1D-myo-inositol-3-phosphate[c] + Pi[c]" 571.1629254 0.000111224 Inositol phosphate metabolism +HMR_6571 1D-myo-inositol-3-phosphate[c] + H2O[c] => inositol[c] + Pi[c] 999.5352073 0.000180252 Inositol phosphate metabolism +HMR_6572 glucose-6-phosphate[c] => 1D-myo-inositol-3-phosphate[c] 999.5352073 0.000165996 Inositol phosphate metabolism +HMR_6574 "1D-myo-inositol-1,4,5,6-tetrakisphosphate[c] + ATP[c] => 1D-myo-inositol-1,3,4,5,6-pentakisphosphate[c] + ADP[c] + H+[c]" 1000 0.000718384 Inositol phosphate metabolism +HMR_6576 "1D-myo-inositol-1,3,4,5,6-pentakisphosphate[c] + ATP[c] => ADP[c] + H+[c] + myo-inositol-hexakisphosphate[c]" 1000 0.000308223 Inositol phosphate metabolism +HMR_6579 ATP[c] + PI pool[c] => 1-phosphatidyl-1D-myo-inositol-5-phosphate[c] + ADP[c] + H+[c] 1000 0.000454615 Inositol phosphate metabolism +HMR_6581 ATP[r] + PI pool[r] => 1-phosphatidyl-1D-myo-inositol-5-phosphate[r] + ADP[r] + H+[r] 470.5863795 6.41E-05 Inositol phosphate metabolism +HMR_6583 1-phosphatidyl-1D-myo-inositol-5-phosphate[c] + H2O[c] => PI pool[c] + Pi[c] 1000 0.000454615 Inositol phosphate metabolism +HMR_6585 1-phosphatidyl-1D-myo-inositol-5-phosphate[r] + H2O[r] => PI pool[r] + Pi[r] 470.5863795 6.41E-05 Inositol phosphate metabolism +HMR_6587 "1-phosphatidyl-1D-myo-inositol-5-phosphate[c] + ATP[c] => 1-phosphatidyl-myo-inositol-3,5-bisphosphate[c] + ADP[c] + H+[c]" 1000 1.06E-05 Inositol phosphate metabolism +HMR_6591 "H2O[c] + phosphatidylinositol-3,5-bisphosphate[c] => 1-phosphatidyl-1D-myo-inositol-5-phosphate[c] + Pi[c]" 1000 0.000268681 Inositol phosphate metabolism +HMR_6592 "1-phosphatidyl-1D-myo-inositol-3,4-bisphosphate[c] + ATP[c] => ADP[c] + H+[c] + phosphatidylinositol-3,4,5-trisphosphate[c]" 1000 0.000455172 Inositol phosphate metabolism +HMR_6595 "ATP[c] + phosphatidylinositol-3,5-bisphosphate[c] => ADP[c] + H+[c] + phosphatidylinositol-3,4,5-trisphosphate[c]" 1000 0.000454615 Inositol phosphate metabolism +HMR_7652 ATP[c] + myo-inositol-hexakisphosphate[c] => 5-pp-inspP5[c] + ADP[c] 1000 0.001521166 Inositol phosphate metabolism +HMR_7655 5-pp-inspP5[c] + H2O[c] => H+[c] + myo-inositol-hexakisphosphate[c] + Pi[c] 1000 0.001521166 Inositol phosphate metabolism +HMR_7656 5-pp-inspP5[c] + ATP[c] => 1D-myo-inositol-bisdiphosphate-tetrakisphosphate[c] + ADP[c] 1000 0.000308223 Inositol phosphate metabolism +HMR_8801 "1D-myo-inositol-1,3,4-trisphosphate[c] + H2O[c] => inositol-1,3-bisphosphate[c] + Pi[c]" 590.7539693 0.00011148 Inositol phosphate metabolism +HMR_8802 "H2O[c] + inositol-1,3-bisphosphate[c] => inositol-1-phosphate[c] + Pi[c]" 590.7539693 0.00011148 Inositol phosphate metabolism +HMR_8813 "1-phosphatidyl-1D-myo-inositol-3-phosphate[c] + ATP[c] => 1-phosphatidyl-1D-myo-inositol-3,4-bisphosphate[c] + ADP[c] + H+[c]" 1000 0.000454872 Inositol phosphate metabolism +HMR_8815 "1-phosphatidyl-1D-myo-inositol-3-phosphate[c] + ATP[c] => ADP[c] + H+[c] + phosphatidylinositol-3,5-bisphosphate[c]" 1000 0.000267914 Inositol phosphate metabolism +HMR_8822 "1-phosphatidyl-1D-myo-inositol-4-phosphate[c] + H2O[c] => 1,2-diacylglycerol-LD-PI pool[c] + 1D-myo-inositol-1,4-bisphosphate[c] + H+[c]" 799.6280956 0.000125181 Inositol phosphate metabolism +HMR_8824 "1-phosphatidyl-1D-myo-inositol-5-phosphate[c] + ATP[c] => ADP[c] + H+[c] + phosphatidylinositol-3,5-bisphosphate[c]" 1000 1.09E-05 Inositol phosphate metabolism +HMR_8835 "1D-myo-inositol-bisdiphosphate-tetrakisphosphate[c] + 2 H2O[c] => 1D-myo-inositol-1,3,4,5,6-pentakisphosphate[c] + H+[c] + Pi[c] + PPi[c]" 1000 0.000308223 Inositol phosphate metabolism +HMR_4332 dihydrofolate[c] + H+[c] + NADH[c] <=> NAD+[c] + THF[c] 2000 0.187700123 Folate metabolism +HMR_4333 dihydrofolate[c] + H+[c] + NADPH[c] <=> NADP+[c] + THF[c] 2000 0.187730562 Folate metabolism +HMR_4335 dihydrofolate[m] + H+[m] + NADPH[m] <=> NADP+[m] + THF[m] 166.6666641 0.000163575 Folate metabolism +HMR_4336 10-formyl-THF[c] + H2O[c] + NADP+[c] => CO2[c] + H+[c] + NADPH[c] + THF[c] 1000 0.000581354 Folate metabolism +HMR_4338 ATP[c] + formate[c] + THF[c] => 10-formyl-THF[c] + ADP[c] + Pi[c] 999.99627 0.001065886 Folate metabolism +HMR_4340 ATP[m] + formate[m] + THF[m] => 10-formyl-THF[m] + ADP[m] + Pi[m] 166.6666641 0.000151705 Folate metabolism +HMR_4440 "5,10-methenyl-THF[m] + NADH[m] <=> 5,10-methylene-THF[m] + NAD+[m]" 1999.999997 0.146147496 Folate metabolism +HMR_4444 "5,10-methenyl-THF[m] + NADPH[m] <=> 5,10-methylene-THF[m] + NADP+[m]" 1999.999997 0.146145932 Folate metabolism +HMR_4446 "5,10-methylene-THF[c] + 2 H+[c] + NADPH[c] => 5-methyl-THF[c] + NADP+[c]" 1000 0.009624523 Folate metabolism +HMR_4448 "5,10-methylene-THF[c] + 2 H+[c] + NADH[c] => 5-methyl-THF[c] + NAD+[c]" 1000 0.009623719 Folate metabolism +HMR_4505 "10-formyl-THF[m] + H+[m] <=> 5,10-methenyl-THF[m] + H2O[m]" 166.6666641 0.000163575 Folate metabolism +HMR_4654 folate[c] + NADH[c] <=> dihydrofolate[c] + NAD+[c] 2000 0.074647217 Folate metabolism +HMR_4655 folate[c] + NADPH[c] <=> dihydrofolate[c] + NADP+[c] 2000 0.120235688 Folate metabolism +HMR_4656 folate[m] + NADPH[m] => dihydrofolate[m] + NADP+[m] 166.6666641 0.000163575 Folate metabolism +HMR_4665 "5,10-methenyl-THF[m] + H2O[m] => 5-formyl-THF[m] + H+[m]" 1000 0.001082612 Folate metabolism +HMR_4666 "5-formyl-THF[m] + ATP[m] => 5,10-methenyl-THF[m] + ADP[m] + Pi[m]" 1000 0.001082612 Folate metabolism +HMR_7908 10-formyl-THF[c] + 4 ATP[c] + 4 glutamate[c] => 10-formyl-THF-glu(5)[c] + 4 ADP[c] + 4 H+[c] + 4 Pi[c] 166.6666641 0.000157309 Folate metabolism +HMR_7909 10-formyl-THF[m] + 4 ATP[m] + 4 glutamate[m] => 10-formyl-THF-glu(5)[m] + 4 ADP[m] + 4 H+[m] + 4 Pi[m] 166.6666641 0.000163575 Folate metabolism +HMR_7910 10-formyl-THF-glu(5)[c] + ATP[c] + glutamate[c] => 10-formyl-THF-glu(6)[c] + ADP[c] + H+[c] + Pi[c] 166.6666641 0.000157309 Folate metabolism +HMR_7911 10-formyl-THF-glu(5)[m] + ATP[m] + glutamate[m] => 10-formyl-THF-glu(6)[m] + ADP[m] + H+[m] + Pi[m] 166.6666641 0.000163575 Folate metabolism +HMR_7912 10-formyl-THF-glu(6)[c] + ATP[c] + glutamate[c] => 10-formyl-THF-glu(7)[c] + ADP[c] + H+[c] + Pi[c] 166.6666641 0.000157309 Folate metabolism +HMR_7913 10-formyl-THF-glu(6)[m] + ATP[m] + glutamate[m] => 10-formyl-THF-glu(7)[m] + ADP[m] + H+[m] + Pi[m] 166.6666641 0.000163575 Folate metabolism +HMR_7916 10-formyl-THF-glu(5)[l] + 4 H2O[l] => 10-formyl-THF[l] + 4 glutamate[l] 166.6666641 0.000163575 Folate metabolism +HMR_7919 10-formyl-THF-glu(6)[l] + H2O[l] => 10-formyl-THF-glu(5)[l] + glutamate[l] 166.6666641 0.000163575 Folate metabolism +HMR_7925 10-formyl-THF-glu(7)[l] + H2O[l] => 10-formyl-THF-glu(6)[l] + glutamate[l] 166.6666641 0.000163575 Folate metabolism +HMR_8758 formate[c] + NAD+[c] => CO2[c] + NADH[c] 999.99627 0.000581315 Folate metabolism +HMR_7661 biocytin[c] + H2O[c] => biotin[c] + lysine[c] 1000 1.26E-06 Biotin metabolism +HMR_7668 ATP[c] + biotin[c] + H+[c] => biotinyl-5-AMP[c] + PPi[c] 1000 1.26E-06 Biotin metabolism +HMR_7669 [apocarboxlase][c] + lysine[c] => apoC-lys[c] + H+[c] + H2O[c] 1000 1.26E-06 Biotin metabolism +HMR_7670 apoC-lys[c] + biotinyl-5-AMP[c] => AMP[c] + apoC-lys_btn[c] + H+[c] 1000 1.26E-06 Biotin metabolism +HMR_7671 apoC-lys_btn[c] + H2O[c] => [apocarboxlase][c] + biocytin[c] 1000 1.26E-06 Biotin metabolism +HMR_7672 apoC-lys_btn[c] + ATP[c] + HCO3-[c] => ADP[c] + carboxybiotin-carboxyl-carrier[c] + H+[c] + Pi[c] 999.9999841 3.37E-05 Biotin metabolism +HMR_7673 acetyl-CoA[c] + carboxybiotin-carboxyl-carrier[c] => apoC-lys_btn[c] + malonyl-CoA[c] 999.9999841 3.37E-05 Biotin metabolism +HMR_4166 "6-pyruvoyltetrahydropterin[c] + H+[c] + NADPH[c] => 6-lactoyl-5,6,7,8-tetrahydropterin[c] + NADP+[c]" 1000 0.001152163 Biopterin metabolism +HMR_4167 "6-lactoyl-5,6,7,8-tetrahydropterin[c] + H+[c] + NADPH[c] => NADP+[c] + tetrahydrobiopterin[c]" 1000 0.001152163 Biopterin metabolism +HMR_4539 4alpha-hydroxytetrahydrobiopterin[c] <=> H2O[c] + O2-4a-cyclic-tetrahydrobiopterin[c] 2000 0.08027687 Biopterin metabolism +HMR_4540 4alpha-hydroxytetrahydrobiopterin[n] <=> H2O[n] + O2-4a-cyclic-tetrahydrobiopterin[n] 2000 0.080276895 Biopterin metabolism +HMR_4541 O2-4a-cyclic-tetrahydrobiopterin[c] <=> quinonoid dihydrobiopterin[c] 2000 0.08027687 Biopterin metabolism +HMR_4542 O2-4a-cyclic-tetrahydrobiopterin[n] <=> quinonoid dihydrobiopterin[n] 2000 0.080276895 Biopterin metabolism +HMR_4543 4alpha-hydroxytetrahydrobiopterin[c] <=> H2O[c] + quinonoid dihydrobiopterin[c] 2000 0.08027687 Biopterin metabolism +HMR_4544 4alpha-hydroxytetrahydrobiopterin[n] <=> H2O[n] + quinonoid dihydrobiopterin[n] 2000 0.080276896 Biopterin metabolism +HMR_3991 4 Fe2+[s] + 4 H+[s] + O2[s] => 4 Fe3+[s] + 2 H2O[s] 249.9999999 0.000358104 Porphyrin metabolism +HMR_4657 2-amino-3-oxoadipate[m] + H+[m] => 5-aminolevulinate[m] + CO2[m] 166.6666667 5.59E-05 Porphyrin metabolism +HMR_4744 2 5-aminolevulinate[c] => H+[c] + 2 H2O[c] + porphobilinogen[c] 83.33333207 2.87E-05 Porphyrin metabolism +HMR_4746 H2O[c] + 4 porphobilinogen[c] => 4 H+[c] + hydroxymethylbilane[c] + 4 NH3[c] 20.83333302 7.18E-06 Porphyrin metabolism +HMR_4748 hydroxymethylbilane[c] => H2O[c] + uroporphyrinogen III[c] 20.83333302 7.18E-06 Porphyrin metabolism +HMR_4750 4 H+[c] + uroporphyrinogen III[c] => 4 CO2[c] + coproporphyrinogen III[c] 20.83333302 7.18E-06 Porphyrin metabolism +HMR_4752 coproporphyrinogen III[c] + 2 H+[c] + O2[c] => 2 CO2[c] + 2 H2O[c] + protoporphyrinogen IX[c] 20.83333302 7.18E-06 Porphyrin metabolism +HMR_4755 3 O2[m] + protoporphyrinogen IX[m] => 3 H2O2[m] + protoporphyrin[m] 20.83333333 7.50E-06 Porphyrin metabolism +HMR_4757 3 O2[c] + protoporphyrinogen IX[c] => 3 H2O2[c] + protoporphyrin[c] 20.83333333 7.50E-06 Porphyrin metabolism +HMR_4758 Fe2+[m] + protoporphyrin[m] => 2 H+[c] + heme[m] 20.83333333 7.14E-06 Porphyrin metabolism +HMR_6630 NADP+[c] + retinol[c] => H+[c] + NADPH[c] + retinal[c] 999.9999874 3.22E-06 Retinol metabolism +HMR_6631 NAD+[c] + retinol[c] => H+[c] + NADH[c] + retinal[c] 999.9999874 0.000132214 Retinol metabolism +HMR_6632 NADP+[r] + retinol[r] => H+[r] + NADPH[r] + retinal[r] 1.26E-06 1.26E-06 Retinol metabolism +HMR_6633 NAD+[r] + retinol[r] => H+[r] + NADH[r] + retinal[r] 1.26E-06 1.26E-06 Retinol metabolism +HMR_6636 H2O[c] + retinyl-ester[c] => H+[c] + retinol[c] + fatty acid pool[c] 999.9999874 0.000132214 Retinol metabolism +HMR_6638 11-cis-retinal[c] + H+[c] + NADH[c] <=> 11-cis-retinol[c] + NAD+[c] 1999.999997 1.162389195 Retinol metabolism +HMR_6644 9-cis-retinal[c] + H+[c] + NADH[c] <=> 9-cis-retinol[c] + NAD+[c] 1000 0.418077826 Retinol metabolism +HMR_6651 retinal[c] => 11-cis-retinal[c] 999.9999874 0.000132214 Retinol metabolism +HMR_8709 11-cis-retinal[c] + H+[c] + NADPH[c] <=> 11-cis-retinol[c] + NADP+[c] 1999.999997 1.162392362 Retinol metabolism +HMR_6506 ATP[c] + riboflavin[c] => ADP[c] + FMN[c] + H+[c] 999.9999997 0.000283846 Riboflavin metabolism +HMR_6507 FMN[c] + H2O[c] => Pi[c] + riboflavin[c] 999.9999997 0.000283846 Riboflavin metabolism +HMR_6508 ATP[c] + FMN[c] + H+[c] => FAD[c] + PPi[c] 999.9999997 0.000742082 Riboflavin metabolism +HMR_6509 FAD[c] + H2O[c] => AMP[c] + FMN[c] + 2 H+[c] 999.9999997 0.000742082 Riboflavin metabolism +HMR_4548 6-hydroxymelatonin[c] + H+[c] <=> hydroxide[c] + melatonin[c] 1000 0.12669386 Serotonin and melatonin biosynthesis +HMR_4204 ATP[c] + thiamin[c] => AMP[c] + H+[c] + thiamin-PP[c] 999.3076025 6.71E-05 Thiamine metabolism +HMR_4206 ATP[c] + thiamin-PP[c] => ADP[c] + thiamin-PPP[c] 1000 0.000139667 Thiamine metabolism +HMR_4207 H2O[c] + thiamin-PPP[c] => H+[c] + Pi[c] + thiamin-PP[c] 1000 0.000139667 Thiamine metabolism +HMR_4208 H2O[c] + thiamin-PP[c] => H+[c] + Pi[c] + thiamin-P[c] 999.3076025 2.09E-05 Thiamine metabolism +HMR_4064 H2O[c] + pyridoxal-phosphate[c] => Pi[c] + pyridoxal[c] 1000 0.001006021 Vitamin B6 metabolism +HMR_4065 ATP[c] + pyridoxal[c] => ADP[c] + H+[c] + pyridoxal-phosphate[c] 1000 0.001006338 Vitamin B6 metabolism +HMR_4066 ATP[c] + pyridoxine[c] => ADP[c] + H+[c] + pyridoxine-phosphate[c] 1000 0.001006338 Vitamin B6 metabolism +HMR_4067 O2[c] + pyridoxine-phosphate[c] => H2O2[c] + pyridoxal-phosphate[c] 1000 0.00016768 Vitamin B6 metabolism +HMR_4068 ATP[c] + pyridoxamine[c] => ADP[c] + H+[c] + pyridoxamine-phosphate[c] 1000 0.000829884 Vitamin B6 metabolism +HMR_8724 H2O[c] + pyridoxamine-phosphate[c] => Pi[c] + pyridoxamine[c] 1000 0.000829884 Vitamin B6 metabolism +HMR_8725 H2O[c] + pyridoxine-phosphate[c] => Pi[c] + pyridoxine[c] 1000 0.001006021 Vitamin B6 metabolism +HMR_6495 3-carboxy-alpha-chromanol[c] + UDP-glucuronate[c] => alpha-CEHC-glucuronide[c] + UDP[c] 3.17E-07 3.17E-07 Vitamin E metabolism +HMR_6496 alpha-CEHC-glucuronide[c] + H2O[c] => 3-carboxy-alpha-chromanol[c] + glucuronate[c] + H+[c] 3.17E-07 3.17E-07 Vitamin E metabolism +HMR_3955 CO2[c] + H2O[c] => H+[c] + HCO3-[c] 999.9991656 0.832352638 Miscellaneous +HMR_3984 2 H2O2[p] => 2 H2O[p] + O2[p] 624.999993 0.000376973 Miscellaneous +HMR_9488 2 [phosphorylase B][c] + 4 ATP[c] => [phosphorylase A][c] + 4 ADP[c] 863.1948805 0.000418372 Isolated +HMR_9489 [phosphorylase A][c] + 4 H2O[c] => 2 [phosphorylase B][c] + 4 H+[c] + 4 Pi[c] 863.1948805 0.000418372 Isolated +HMR_9493 [myosin light chain][c] + ATP[c] => [myosin light chain]-phosphate[c] + ADP[c] 1000 0.000793939 Isolated +HMR_9494 [myosin light chain]-phosphate[c] + H2O[c] => [myosin light chain][c] + H+[c] + Pi[c] 1000 0.000793939 Isolated +HMR_9516 [pyruvate dehydrogenase (acetyl transferring)]-phosphate[c] + H2O[c] => [pyruvate dehydrogenase (acetyl transferring)][c] + Pi[c] 1000 0.000988831 Isolated +HMR_9517 [pyruvate dehydrogenase (acetyl transferring)][c] + ATP[c] => [pyruvate dehydrogenase (acetyl transferring)]-phosphate[c] + ADP[c] + H+[c] 1000 0.000988831 Isolated +HMR_9577 [protein][c] + ATP[c] => ADP[c] + phosphoprotein[c] 1000 0.001671537 Isolated +HMR_9578 H2O[c] + phosphoprotein[c] => [protein][c] + H+[c] + Pi[c] 1000 0.001671537 Isolated +HMR_0155 butyrate[s] <=> butyrate[c] 2000 0.366981619 Transport reactions +HMR_0179 decanoic acid[s] <=> decanoic acid[c] 1000 0.001576157 Transport reactions +HMR_0187 lauric acid[s] => lauric acid[c] 1000 0.001576156 Transport reactions +HMR_0190 ATP[c] + H2O[c] + lauric acid[c] => ADP[c] + H+[c] + lauric acid[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0191 tridecylic acid[s] => tridecylic acid[c] 1000 0.001576157 Transport reactions +HMR_0194 ATP[c] + H2O[c] + tridecylic acid[c] => ADP[c] + H+[c] + Pi[c] + tridecylic acid[s] 1000 0.001576157 Transport reactions +HMR_0195 myristic acid[s] => myristic acid[c] 1000 0.001576157 Transport reactions +HMR_0198 ATP[c] + H2O[c] + myristic acid[c] => ADP[c] + H+[c] + myristic acid[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0199 (9E)-tetradecenoic acid[s] => (9E)-tetradecenoic acid[c] 1000 0.001576157 Transport reactions +HMR_0202 (9E)-tetradecenoic acid[c] + ATP[c] + H2O[c] => (9E)-tetradecenoic acid[s] + ADP[c] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0203 (7Z)-tetradecenoic acid[s] => (7Z)-tetradecenoic acid[c] 1000 0.001576157 Transport reactions +HMR_0207 (7Z)-tetradecenoic acid[c] + ATP[c] + H2O[c] => (7Z)-tetradecenoic acid[s] + ADP[c] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0208 physeteric acid[s] => physeteric acid[c] 1000 0.001576157 Transport reactions +HMR_0211 ATP[c] + H2O[c] + physeteric acid[c] => ADP[c] + H+[c] + physeteric acid[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0212 pentadecylic acid[s] => pentadecylic acid[c] 1000 0.001576157 Transport reactions +HMR_0215 ATP[c] + H2O[c] + pentadecylic acid[c] => ADP[c] + H+[c] + pentadecylic acid[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0216 palmitate[s] => palmitate[c] 1000 0.000102294 Transport reactions +HMR_0224 ATP[c] + H2O[c] + palmitate[c] => ADP[c] + H+[c] + palmitate[s] + Pi[c] 1000 0.000597392 Transport reactions +HMR_0225 palmitolate[s] => palmitolate[c] 1000 0.001576157 Transport reactions +HMR_0231 ATP[c] + H2O[c] + palmitolate[c] => ADP[c] + H+[c] + palmitolate[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0232 7-palmitoleic acid[s] => 7-palmitoleic acid[c] 1000 0.001576157 Transport reactions +HMR_0235 7-palmitoleic acid[c] + ATP[c] + H2O[c] => 7-palmitoleic acid[s] + ADP[c] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0236 margaric acid[s] => margaric acid[c] 1000 0.001576157 Transport reactions +HMR_0239 ATP[c] + H2O[c] + margaric acid[c] => ADP[c] + H+[c] + margaric acid[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0240 (10Z)-heptadecenoic acid[s] => (10Z)-heptadecenoic acid[c] 1000 0.001576157 Transport reactions +HMR_0243 (10Z)-heptadecenoic acid[c] + ATP[c] + H2O[c] => (10Z)-heptadecenoic acid[s] + ADP[c] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0244 9-heptadecylenic acid[s] => 9-heptadecylenic acid[c] 1000 0.001576157 Transport reactions +HMR_0247 9-heptadecylenic acid[c] + ATP[c] + H2O[c] => 9-heptadecylenic acid[s] + ADP[c] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0248 stearate[s] => stearate[c] 1000 0.000224986 Transport reactions +HMR_0253 ATP[c] + H2O[c] + stearate[c] => ADP[c] + H+[c] + Pi[c] + stearate[s] 1000 0.000224986 Transport reactions +HMR_0254 (13Z)-octadecenoic acid[s] => (13Z)-octadecenoic acid[c] 1000 0.001576157 Transport reactions +HMR_0257 (13Z)-octadecenoic acid[c] + ATP[c] + H2O[c] => (13Z)-octadecenoic acid[s] + ADP[c] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0258 cis-vaccenic acid[s] => cis-vaccenic acid[c] 1000 0.001576157 Transport reactions +HMR_0261 ATP[c] + cis-vaccenic acid[c] + H2O[c] => ADP[c] + cis-vaccenic acid[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0262 oleate[s] => oleate[c] 1000 0.001576157 Transport reactions +HMR_0265 ATP[c] + H2O[c] + oleate[c] => ADP[c] + H+[c] + oleate[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0266 elaidate[s] => elaidate[c] 1000 0.001576157 Transport reactions +HMR_0269 ATP[c] + elaidate[c] + H2O[c] => ADP[c] + elaidate[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0270 (7Z)-octadecenoic acid[s] => (7Z)-octadecenoic acid[c] 1000 0.001576157 Transport reactions +HMR_0273 (7Z)-octadecenoic acid[c] + ATP[c] + H2O[c] => (7Z)-octadecenoic acid[s] + ADP[c] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0274 "(6Z,9Z)-octadecadienoic acid[s] => (6Z,9Z)-octadecadienoic acid[c]" 1000 0.001576157 Transport reactions +HMR_0277 "(6Z,9Z)-octadecadienoic acid[c] + ATP[c] + H2O[c] => (6Z,9Z)-octadecadienoic acid[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0278 nonadecylic acid[s] => nonadecylic acid[c] 1000 0.001576157 Transport reactions +HMR_0281 ATP[c] + H2O[c] + nonadecylic acid[c] => ADP[c] + H+[c] + nonadecylic acid[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0282 eicosanoate[s] => eicosanoate[c] 1000 0.001576157 Transport reactions +HMR_0287 ATP[c] + eicosanoate[c] + H2O[c] => ADP[c] + eicosanoate[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0288 (13Z)-eicosenoic acid[s] => (13Z)-eicosenoic acid[c] 1000 0.001576157 Transport reactions +HMR_0291 (13Z)-eicosenoic acid[c] + ATP[c] + H2O[c] => (13Z)-eicosenoic acid[s] + ADP[c] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0292 cis-gondoic acid[s] => cis-gondoic acid[c] 1000 0.001576157 Transport reactions +HMR_0295 ATP[c] + cis-gondoic acid[c] + H2O[c] => ADP[c] + cis-gondoic acid[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0296 9-eicosenoic acid[s] => 9-eicosenoic acid[c] 1000 0.001576157 Transport reactions +HMR_0299 9-eicosenoic acid[c] + ATP[c] + H2O[c] => 9-eicosenoic acid[s] + ADP[c] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0300 "8,11-eicosadienoic acid[s] => 8,11-eicosadienoic acid[c]" 1000 0.001576157 Transport reactions +HMR_0303 "8,11-eicosadienoic acid[c] + ATP[c] + H2O[c] => 8,11-eicosadienoic acid[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0304 mead acid[s] => mead acid[c] 1000 0.001576157 Transport reactions +HMR_0307 ATP[c] + H2O[c] + mead acid[c] => ADP[c] + H+[c] + mead acid[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0308 henicosanoic acid[s] => henicosanoic acid[c] 1000 0.001576157 Transport reactions +HMR_0311 ATP[c] + H2O[c] + henicosanoic acid[c] => ADP[c] + H+[c] + henicosanoic acid[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0312 behenic acid[s] => behenic acid[c] 1000 0.001576157 Transport reactions +HMR_0317 ATP[c] + behenic acid[c] + H2O[c] => ADP[c] + behenic acid[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0318 cis-erucic acid[s] => cis-erucic acid[c] 1000 0.001576157 Transport reactions +HMR_0321 ATP[c] + cis-erucic acid[c] + H2O[c] => ADP[c] + cis-erucic acid[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0322 cis-cetoleic acid[s] => cis-cetoleic acid[c] 1000 0.001576157 Transport reactions +HMR_0325 ATP[c] + cis-cetoleic acid[c] + H2O[c] => ADP[c] + cis-cetoleic acid[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0326 tricosanoic acid[s] => tricosanoic acid[c] 1000 0.001576157 Transport reactions +HMR_0329 ATP[c] + H2O[c] + tricosanoic acid[c] => ADP[c] + H+[c] + Pi[c] + tricosanoic acid[s] 1000 0.001576157 Transport reactions +HMR_0330 lignocerate[s] => lignocerate[c] 1000 0.001576157 Transport reactions +HMR_0335 ATP[c] + H2O[c] + lignocerate[c] => ADP[c] + H+[c] + lignocerate[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0336 nervonic acid[s] => nervonic acid[c] 1000 0.001576157 Transport reactions +HMR_0339 ATP[c] + H2O[c] + nervonic acid[c] => ADP[c] + H+[c] + nervonic acid[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0340 cerotic acid[s] => cerotic acid[c] 1000 0.001576157 Transport reactions +HMR_0343 ATP[c] + cerotic acid[c] + H2O[c] => ADP[c] + cerotic acid[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0344 ximenic acid[s] => ximenic acid[c] 1000 0.001576157 Transport reactions +HMR_0347 ATP[c] + H2O[c] + ximenic acid[c] => ADP[c] + H+[c] + Pi[c] + ximenic acid[s] 1000 0.001576157 Transport reactions +HMR_0348 linolenate[s] => linolenate[c] 999.999973 0.001611734 Transport reactions +HMR_0351 ATP[c] + H2O[c] + linolenate[c] => ADP[c] + H+[c] + linolenate[s] + Pi[c] 999.999973 0.001576157 Transport reactions +HMR_0352 stearidonic acid[s] => stearidonic acid[c] 1000 0.001576157 Transport reactions +HMR_0355 ATP[c] + H2O[c] + stearidonic acid[c] => ADP[c] + H+[c] + Pi[c] + stearidonic acid[s] 1000 0.001576157 Transport reactions +HMR_0356 omega-3-arachidonic acid[s] => omega-3-arachidonic acid[c] 1000 0.001576157 Transport reactions +HMR_0359 ATP[c] + H2O[c] + omega-3-arachidonic acid[c] => ADP[c] + H+[c] + omega-3-arachidonic acid[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0360 EPA[s] => EPA[c] 1000 0.001576157 Transport reactions +HMR_0363 ATP[c] + EPA[c] + H2O[c] => ADP[c] + EPA[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0364 DPA[s] => DPA[c] 1000 0.001576157 Transport reactions +HMR_0367 ATP[c] + DPA[c] + H2O[c] => ADP[c] + DPA[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0368 "(9Z,12Z,15Z,18Z,21Z)-TPA[s] => (9Z,12Z,15Z,18Z,21Z)-TPA[c]" 1000 0.001576157 Transport reactions +HMR_0371 "(9Z,12Z,15Z,18Z,21Z)-TPA[c] + ATP[c] + H2O[c] => (9Z,12Z,15Z,18Z,21Z)-TPA[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0372 "(6Z,9Z,12Z,15Z,18Z,21Z)-THA[s] => (6Z,9Z,12Z,15Z,18Z,21Z)-THA[c]" 1000 0.001576157 Transport reactions +HMR_0375 "(6Z,9Z,12Z,15Z,18Z,21Z)-THA[c] + ATP[c] + H2O[c] => (6Z,9Z,12Z,15Z,18Z,21Z)-THA[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0376 DHA[s] => DHA[c] 1000 0.001576157 Transport reactions +HMR_0379 ATP[c] + DHA[c] + H2O[c] => ADP[c] + DHA[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0380 "(11Z,14Z,17Z)-eicosatrienoic acid[s] => (11Z,14Z,17Z)-eicosatrienoic acid[c]" 1000 0.001576157 Transport reactions +HMR_0383 "(11Z,14Z,17Z)-eicosatrienoic acid[c] + ATP[c] + H2O[c] => (11Z,14Z,17Z)-eicosatrienoic acid[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0384 "13,16,19-docosatrienoic acid[s] => 13,16,19-docosatrienoic acid[c]" 1000 0.001576157 Transport reactions +HMR_0387 "13,16,19-docosatrienoic acid[c] + ATP[c] + H2O[c] => 13,16,19-docosatrienoic acid[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0388 "10,13,16,19-docosatetraenoic acid[s] => 10,13,16,19-docosatetraenoic acid[c]" 1000 0.001576157 Transport reactions +HMR_0391 "10,13,16,19-docosatetraenoic acid[c] + ATP[c] + H2O[c] => 10,13,16,19-docosatetraenoic acid[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0392 "12,15,18,21-tetracosatetraenoic acid[s] => 12,15,18,21-tetracosatetraenoic acid[c]" 1000 0.001576157 Transport reactions +HMR_0395 "12,15,18,21-tetracosatetraenoic acid[c] + ATP[c] + H2O[c] => 12,15,18,21-tetracosatetraenoic acid[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0396 linoleate[s] => linoleate[c] 1000 0.001576157 Transport reactions +HMR_0399 ATP[c] + H2O[c] + linoleate[c] => ADP[c] + H+[c] + linoleate[s] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0400 gamma-linolenate[s] => gamma-linolenate[c] 1000 0.001576157 Transport reactions +HMR_0403 ATP[c] + gamma-linolenate[c] + H2O[c] => ADP[c] + gamma-linolenate[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0404 dihomo-gamma-linolenate[s] => dihomo-gamma-linolenate[c] 1000 0.001576157 Transport reactions +HMR_0407 ATP[c] + dihomo-gamma-linolenate[c] + H2O[c] => ADP[c] + dihomo-gamma-linolenate[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0408 arachidonate[s] => arachidonate[c] 1000 0.025136049 Transport reactions +HMR_0411 arachidonate[c] + ATP[c] + H2O[c] => ADP[c] + arachidonate[s] + H+[c] + Pi[c] 1000 0.001681601 Transport reactions +HMR_0412 adrenic acid[s] => adrenic acid[c] 1000 0.001576157 Transport reactions +HMR_0415 adrenic acid[c] + ATP[c] + H2O[c] => ADP[c] + adrenic acid[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +HMR_0416 "(9Z,12Z,15Z,18Z)-TTA[s] => (9Z,12Z,15Z,18Z)-TTA[c]" 1000 0.001576157 Transport reactions +HMR_0419 "(9Z,12Z,15Z,18Z)-TTA[c] + ATP[c] + H2O[c] => (9Z,12Z,15Z,18Z)-TTA[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0420 "(6Z,9Z,12Z,15Z,18Z)-TPA[s] => (6Z,9Z,12Z,15Z,18Z)-TPA[c]" 1000 0.001576157 Transport reactions +HMR_0423 "(6Z,9Z,12Z,15Z,18Z)-TPA[c] + ATP[c] + H2O[c] => (6Z,9Z,12Z,15Z,18Z)-TPA[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0424 "(4Z,7Z,10Z,13Z,16Z)-DPA[s] => (4Z,7Z,10Z,13Z,16Z)-DPA[c]" 1000 0.001576157 Transport reactions +HMR_0427 "(4Z,7Z,10Z,13Z,16Z)-DPA[c] + ATP[c] + H2O[c] => (4Z,7Z,10Z,13Z,16Z)-DPA[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0428 "(11Z,14Z)-eicosadienoic acid[s] => (11Z,14Z)-eicosadienoic acid[c]" 1000 0.001576157 Transport reactions +HMR_0431 "(11Z,14Z)-eicosadienoic acid[c] + ATP[c] + H2O[c] => (11Z,14Z)-eicosadienoic acid[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0432 "(13Z,16Z)-docosadienoic acid[s] => (13Z,16Z)-docosadienoic acid[c]" 1000 0.001576157 Transport reactions +HMR_0435 "(13Z,16Z)-docosadienoic acid[c] + ATP[c] + H2O[c] => (13Z,16Z)-docosadienoic acid[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0436 "10,13,16-docosatriynoic acid[s] => 10,13,16-docosatriynoic acid[c]" 1000 0.001576157 Transport reactions +HMR_0439 "10,13,16-docosatriynoic acid[c] + ATP[c] + H2O[c] => 10,13,16-docosatriynoic acid[s] + ADP[c] + H+[c] + Pi[c]" 1000 0.001576157 Transport reactions +HMR_0476 ATP[c] + H2O[c] + PC-LD pool[c] => ADP[c] + H+[c] + PC-LD pool[s] + Pi[c] 111.1900897 2.16E-06 Transport reactions +HMR_1082 leukotriene C4[c] => leukotriene C4[s] 1000 0.83225196 Transport reactions +HMR_1911 ATP[c] + cholesterol[c] + H2O[c] => ADP[c] + cholesterol[s] + H+[c] + Pi[c] 84.30815575 3.62E-07 Transport reactions +HMR_1914 HCO3-[c] + sulfate[s] => HCO3-[s] + sulfate[c] 1000 0.832251952 Transport reactions +HMR_1919 cholesterol[c] + PAPS[c] => cholesterol-sulfate[c] + H+[c] + PAP[c] 1000 0.000140731 Transport reactions +HMR_4721 Na+[s] + pantothenate[s] => Na+[c] + pantothenate[c] 8.73E-05 8.73E-05 Transport reactions +HMR_4932 glutamate[s] + H+[s] + K+[c] + 3 Na+[s] => glutamate[c] + H+[c] + K+[s] + 3 Na+[c] 1000 0.446011009 Transport reactions +HMR_4946 2 HCO3-[c] + sulfate[s] => 2 HCO3-[s] + sulfate[c] 1000 0.416125975 Transport reactions +HMR_5328 aspartate[s] + Na+[s] => aspartate[c] + Na+[c] 1000 0.092072974 Transport reactions +HMR_5330 glutamate[s] + Na+[s] => glutamate[c] + Na+[c] 1000 0.446011009 Transport reactions +HMR_5432 HCO3-[c] + Na+[c] => HCO3-[s] + Na+[s] 1000 0.83225196 Transport reactions +HMR_5442 ATP[c] + GSH[c] + H2O[c] => ADP[c] + GSH[s] + H+[c] + Pi[c] 1000 0.001681601 Transport reactions +HMR_5443 ATP[c] + glutathionyl-leukotriene C4[c] + H2O[c] => ADP[c] + glutathionyl-leukotriene C4[s] + H+[c] + Pi[c] 1000 0.001681601 Transport reactions +HMR_5444 ATP[c] + H2O[c] + S-glutathionyl-2-4-dinitrobenzene[c] => ADP[c] + H+[c] + Pi[c] + S-glutathionyl-2-4-dinitrobenzene[s] 1000 0.001681601 Transport reactions +HMR_5445 ATP[c] + H2O[c] + S-glutathionyl-ethacrynic acid[c] => ADP[c] + H+[c] + Pi[c] + S-glutathionyl-ethacrynic acid[s] 1000 0.001681601 Transport reactions +HMR_5447 aspartate[s] + H+[s] + K+[c] + 3 Na+[s] => aspartate[c] + H+[c] + K+[s] + 3 Na+[c] 1000 0.092072974 Transport reactions +HMR_5987 Fe2+[s] + H+[s] => Fe2+[c] + H+[c] 20.83333302 6.82E-06 Transport reactions +HMR_6096 HCO3-[c] + thyroxine[s] => HCO3-[s] + thyroxine[c] 1000 0.832251952 Transport reactions +HMR_6098 HCO3-[c] + triiodothyronine[s] => HCO3-[s] + triiodothyronine[c] 1000 0.83225196 Transport reactions +HMR_6101 HCO3-[c] + prostaglandin E2[s] => HCO3-[s] + prostaglandin E2[c] 1000 0.001681601 Transport reactions +HMR_6246 prostaglandin E2[s] => prostaglandin E2[c] 1000 0.001681601 Transport reactions +HMR_6369 deoxyinosine[c] => deoxyinosine[s] 1000 0.103385033 Transport reactions +HMR_6392 ATP[c] + H2O[c] + sulfotaurolithocholate[c] => ADP[c] + H+[c] + Pi[c] + sulfotaurolithocholate[s] 1000 0.001681601 Transport reactions +HMR_6406 ATP[c] + H2O[c] + lipoic acid[s] + 2 Na+[s] => ADP[c] + H+[c] + lipoic acid[c] + 2 Na+[c] + Pi[c] 3.17E-07 3.17E-07 Transport reactions +HMR_6512 FAD[c] <=> FAD[s] 999.5350943 0.00016911 Transport reactions +HMR_6525 chloride[s] + HCO3-[c] => chloride[c] + HCO3-[s] 1000 0.83225196 Transport reactions +HMR_6531 2 chloride[s] + oxalate[c] => 2 chloride[c] + oxalate[s] 500 0.416125976 Transport reactions +HMR_6532 2 chloride[s] + HCO3-[c] => 2 chloride[c] + HCO3-[s] 500 0.83225196 Transport reactions +HMR_6534 chloride[s] + 2 HCO3-[c] => chloride[c] + 2 HCO3-[s] 1000 0.416125976 Transport reactions +HMR_7629 ATP[c] + 2 Ca2+[c] + H2O[c] => ADP[c] + 2 Ca2+[s] + H+[c] + Pi[c] 500 0.001646031 Transport reactions +HMR_7632 Ca2+[c] + 4 Na+[s] + NH3[c] => Ca2+[s] + 4 Na+[c] + NH3[s] 1000 0.276413343 Transport reactions +HMR_7650 ATP[c] + estradiol-17beta 3-glucuronide[c] + H2O[c] => ADP[c] + estradiol-17beta 3-glucuronide[s] + H+[c] + Pi[c] 1000 0.001681601 Transport reactions +HMR_7651 estradiol-17beta 3-glucuronide[s] + HCO3-[c] => estradiol-17beta 3-glucuronide[c] + HCO3-[s] 1000 0.001681601 Transport reactions +HMR_7666 biotin[s] + H+[s] => biotin[c] + H+[c] 3.17E-07 3.17E-07 Transport reactions +HMR_7667 ATP[c] + biotin[s] + H2O[c] + 2 Na+[s] => ADP[c] + biotin[c] + H+[c] + 2 Na+[c] + Pi[c] 3.17E-07 3.17E-07 Transport reactions +HMR_7687 3 hydroxide[s] + thiamin-PPP[c] => 3 hydroxide[c] + thiamin-PPP[s] 333.1025342 6.71E-05 Transport reactions +HMR_7691 ATP[c] + cAMP[c] + H2O[c] => ADP[c] + cAMP[s] + H+[c] + Pi[c] 571.3981217 0.000146398 Transport reactions +HMR_7692 ATP[c] + cGMP[c] + H2O[c] => ADP[c] + cGMP[s] + H+[c] + Pi[c] 499.9733565 0.000112375 Transport reactions +HMR_7902 2 HCO3-[c] + oxalate[s] => 2 HCO3-[s] + oxalate[c] 1000 0.416125976 Transport reactions +HMR_8076 2 HCO3-[c] + Na+[c] => 2 HCO3-[s] + Na+[s] 1000 0.41612598 Transport reactions +HMR_8077 3 HCO3-[c] + Na+[c] => 3 HCO3-[s] + Na+[s] 1000 0.277417317 Transport reactions +HMR_8551 HCO3-[c] + leukotriene C4[s] => HCO3-[s] + leukotriene C4[c] 1000 0.83225196 Transport reactions +HMR_8632 bilirubin-monoglucuronoside[s] + HCO3-[c] => bilirubin-monoglucuronoside[c] + HCO3-[s] 1000 0.001681601 Transport reactions +HMR_8633 ATP[c] + bilirubin-monoglucuronoside[c] + H2O[c] => ADP[c] + bilirubin-monoglucuronoside[s] + H+[c] + Pi[c] 1000 0.001681601 Transport reactions +HMR_8658 ATP[c] + cholate[c] + H2O[c] => ADP[c] + cholate[s] + H+[c] + Pi[c] 1000 0.001681601 Transport reactions +HMR_8659 cholate[s] + HCO3-[c] => cholate[c] + HCO3-[s] 1000 0.832251952 Transport reactions +HMR_8736 oxalate[c] + 2 sulfate[s] => oxalate[s] + 2 sulfate[c] 1000 0.416125976 Transport reactions +HMR_8879 glycocholate[s] + HCO3-[c] => glycocholate[c] + HCO3-[s] 1000 0.832251952 Transport reactions +HMR_8911 inositol[s] + Na+[s] => inositol[c] + Na+[c] 1000 0.000239855 Transport reactions +HMR_8912 inositol[s] + 2 Na+[s] => inositol[c] + 2 Na+[c] 1000 0.000239855 Transport reactions +HMR_8925 Na+[s] + NH3[c] => Na+[c] + NH3[s] 1000 0.276413343 Transport reactions +HMR_8930 ATP[c] + H2O[c] + 2 Na+[s] + pantothenate[s] => ADP[c] + H+[c] + 2 Na+[c] + pantothenate[c] + Pi[c] 8.73E-05 8.73E-05 Transport reactions +HMR_8932 HCO3-[c] + prostaglandin D2[s] => HCO3-[s] + prostaglandin D2[c] 1000 0.832251952 Transport reactions +HMR_8933 HCO3-[c] + prostaglandin E1[s] => HCO3-[s] + prostaglandin E1[c] 1000 0.832251952 Transport reactions +HMR_8934 ATP[c] + H2O[c] + prostaglandin E1[c] => ADP[c] + H+[c] + Pi[c] + prostaglandin E1[s] 1000 0.001681601 Transport reactions +HMR_8935 ATP[c] + H2O[c] + prostaglandin E2[c] => ADP[c] + H+[c] + Pi[c] + prostaglandin E2[s] 1000 0.001681601 Transport reactions +HMR_8936 HCO3-[c] + prostaglandin H2[s] => HCO3-[s] + prostaglandin H2[c] 1000 0.832251952 Transport reactions +HMR_8939 Na+[s] + palmitate[s] => Na+[c] + palmitate[c] 1000 2.17E-05 Transport reactions +HMR_8940 Na+[s] + oleate[s] => Na+[c] + oleate[c] 1000 0.001263392 Transport reactions +HMR_8941 Na+[s] + stearate[s] => Na+[c] + stearate[c] 1000 5.09E-05 Transport reactions +HMR_8942 eicosanoate[s] + Na+[s] => eicosanoate[c] + Na+[c] 1000 0.001263392 Transport reactions +HMR_8943 arachidonate[s] + Na+[s] => arachidonate[c] + Na+[c] 1000 0.005080042 Transport reactions +HMR_8944 adrenic acid[s] + Na+[s] => adrenic acid[c] + Na+[c] 1000 0.001263392 Transport reactions +HMR_8945 DHA[s] + Na+[s] => DHA[c] + Na+[c] 1000 0.001263392 Transport reactions +HMR_8946 lignocerate[s] + Na+[s] => lignocerate[c] + Na+[c] 1000 0.001263392 Transport reactions +HMR_8947 Na+[s] + nervonic acid[s] => Na+[c] + nervonic acid[c] 1000 0.001263392 Transport reactions +HMR_9607 2 Na+[s] + pantothenate[s] => 2 Na+[c] + pantothenate[c] 8.73E-05 8.73E-05 Transport reactions +HMR_9608 lipoic acid[s] + 2 Na+[s] => lipoic acid[c] + 2 Na+[c] 3.17E-07 3.17E-07 Transport reactions +HMR_9609 biotin[s] + 2 Na+[s] => biotin[c] + 2 Na+[c] 3.17E-07 3.17E-07 Transport reactions +HMR_9019 CDP[c] => CDP[m] 110.7025932 1.87E-05 Transport reactions +HMR_0158 butyryl-CoA[m] + L-carnitine[c] <=> butyryl-CoA[c] + L-carnitine[m] 2000 6.58E-05 Transport reactions +HMR_0578 acyl-CoA pool[c] => acyl-CoA pool[m] 221.4051863 3.74E-05 Transport reactions +HMR_3825 aspartate[m] + glutamate[c] + H+[i] => aspartate[c] + glutamate[m] + H+[m] 1000 0.018273566 Transport reactions +HMR_3864 3-sulfinoalanine[m] + glutamate[c] + H+[i] => 3-sulfinoalanine[c] + glutamate[m] + H+[m] 1000 0.018273566 Transport reactions +HMR_3971 fumarate[c] + Pi[m] => fumarate[m] + Pi[c] 1000 0.014575044 Transport reactions +HMR_4184 2 ferricytochrome C[m] + H2O[c] + sulfite[c] => 2 ferrocytochrome C[m] + 2 H+[c] + sulfate[c] 999.9999584 0.000130135 Transport reactions +HMR_4754 protoporphyrinogen IX[c] => protoporphyrinogen IX[m] 20.83333333 7.50E-06 Transport reactions +HMR_4862 Pi[m] + succinate[c] => Pi[c] + succinate[m] 1000 0.014575044 Transport reactions +HMR_4865 malate[c] + Pi[m] => malate[m] + Pi[c] 1000 0.014575044 Transport reactions +HMR_4870 malonate[c] + Pi[m] => malonate[m] + Pi[c] 1000 0.014575044 Transport reactions +HMR_4926 H+[c] + pyruvate[c] => H+[m] + pyruvate[m] 1000 0.109777591 Transport reactions +HMR_4940 GSH[c] + Pi[m] => GSH[m] + Pi[c] 1000 0.014575044 Transport reactions +HMR_4977 acetoacetate[c] + H+[c] => acetoacetate[m] + H+[m] 499.9980271 0.001142131 Transport reactions +HMR_5006 folate[c] => folate[m] 166.6666641 0.000163575 Transport reactions +HMR_5036 guanosine[m] => guanosine[c] 1000 0.000105678 Transport reactions +HMR_5043 Pi[c] + H+[i] => H+[m] + Pi[m] 1000 0.015196719 Transport reactions +HMR_5105 H+[c] + ornithine[m] => H+[m] + ornithine[c] 1000 0.018058041 Transport reactions +HMR_5113 alanine[c] => alanine[m] 1000 0.060683738 Transport reactions +HMR_5114 serine[c] => serine[m] 166.6666641 8.18E-05 Transport reactions +HMR_5122 glutamate[c] + H+[c] => glutamate[m] + H+[m] 1000 0.052297715 Transport reactions +HMR_5348 2-oxobutyrate[c] + H+[c] => 2-oxobutyrate[m] + H+[m] 1000 0.018058059 Transport reactions +HMR_5349 2-oxobutyrate[m] + H+[i] => 2-oxobutyrate[c] + H+[m] 1000 0.018058041 Transport reactions +HMR_5420 Fe2+[c] => Fe2+[m] 20.83333302 6.82E-06 Transport reactions +HMR_6301 lysine[m] + ornithine[c] + H+[i] => H+[m] + lysine[c] + ornithine[m] 1000 0.009029021 Transport reactions +HMR_6302 lysine[c] + ornithine[m] + H+[i] => H+[m] + lysine[m] + ornithine[c] 1000 0.009029021 Transport reactions +HMR_6307 arginine[m] + ornithine[c] + H+[i] => arginine[c] + H+[m] + ornithine[m] 1000 0.018058041 Transport reactions +HMR_6308 arginine[c] + ornithine[m] + H+[i] => arginine[m] + H+[m] + ornithine[c] 1000 0.009029021 Transport reactions +HMR_6313 H+[c] + histidine[c] + ornithine[m] => H+[m] + histidine[m] + ornithine[c] 1000 0.018058041 Transport reactions +HMR_6314 histidine[m] + ornithine[c] + H+[i] => H+[m] + histidine[c] + ornithine[m] 1000 0.018058041 Transport reactions +HMR_6317 citrulline[m] + ornithine[c] + H+[i] => citrulline[c] + H+[m] + ornithine[m] 1000 0.018058041 Transport reactions +HMR_6318 citrulline[c] + H+[c] + ornithine[m] => citrulline[m] + H+[m] + ornithine[c] 1000 0.018058041 Transport reactions +HMR_6321 H+[c] + lysine[m] => H+[m] + lysine[c] 1000 0.009029021 Transport reactions +HMR_6323 arginine[c] + H+[i] => arginine[m] + H+[m] 1000 0.018058041 Transport reactions +HMR_6327 citrulline[m] + H+[i] => citrulline[c] + H+[m] 1000 0.018058041 Transport reactions +HMR_6330 AKG[c] + Pi[m] => AKG[m] + Pi[c] 1000 0.014575044 Transport reactions +HMR_6331 oxalate[c] + Pi[m] => oxalate[m] + Pi[c] 1000 0.014575044 Transport reactions +HMR_6332 ATP[m] + dADP[c] => ATP[c] + dADP[m] 1000 0.0003824 Transport reactions +HMR_6333 ATP[m] + dGDP[c] => ATP[c] + dGDP[m] 1000 0.0003824 Transport reactions +HMR_6334 ATP[m] + dUDP[c] => ATP[c] + dUDP[m] 1000 0.0003824 Transport reactions +HMR_6335 ADP[m] + dADP[c] => ADP[c] + dADP[m] 1000 0.0003824 Transport reactions +HMR_6336 ADP[m] + dGDP[c] => ADP[c] + dGDP[m] 1000 0.0003824 Transport reactions +HMR_6337 ADP[m] + dUDP[c] => ADP[c] + dUDP[m] 1000 0.0003824 Transport reactions +HMR_6338 ATP[m] + dATP[c] => ATP[c] + dATP[m] 1000 0.0003824 Transport reactions +HMR_6339 ATP[m] + dGTP[c] => ATP[c] + dGTP[m] 1000 0.0003824 Transport reactions +HMR_6340 ATP[m] + dUTP[c] => ATP[c] + dUTP[m] 1000 0.000264962 Transport reactions +HMR_6341 ADP[m] + dATP[c] => ADP[c] + dATP[m] 1000 0.0003824 Transport reactions +HMR_6342 ADP[m] + dGTP[c] => ADP[c] + dGTP[m] 1000 0.0003824 Transport reactions +HMR_6343 ADP[m] + dUTP[c] => ADP[c] + dUTP[m] 1000 0.000264962 Transport reactions +HMR_6389 Pi[m] + sn-glycerol-3-phosphate[c] => Pi[c] + sn-glycerol-3-phosphate[m] 110.7026788 2.12E-05 Transport reactions +HMR_7815 ATP[m] + dTDP[c] => ATP[c] + dTDP[m] 1000 0.0003824 Transport reactions +HMR_7816 ADP[m] + dTDP[c] => ADP[c] + dTDP[m] 1000 0.0003824 Transport reactions +HMR_7825 ADP[m] + dCDP[c] => ADP[c] + dCDP[m] 1000 0.0003824 Transport reactions +HMR_7826 ATP[m] + dCDP[c] => ATP[c] + dCDP[m] 1000 0.0003824 Transport reactions +HMR_7827 dTDP[m] + dUTP[c] => dTDP[c] + dUTP[m] 1000 0.000862763 Transport reactions +HMR_7828 dUDP[m] + dUTP[c] => dUDP[c] + dUTP[m] 1000 0.000862763 Transport reactions +HMR_7829 dGDP[m] + dUTP[c] => dGDP[c] + dUTP[m] 1000 0.000862763 Transport reactions +HMR_7830 dATP[c] + dCDP[m] => dATP[m] + dCDP[c] 1000 1.405163246 Transport reactions +HMR_7831 dADP[m] + dUTP[c] => dADP[c] + dUTP[m] 1000 0.000862763 Transport reactions +HMR_7832 dCDP[m] + dUTP[c] => dCDP[c] + dUTP[m] 1000 0.000862763 Transport reactions +HMR_7833 ATP[m] + dTTP[c] => ATP[c] + dTTP[m] 1000 0.0003824 Transport reactions +HMR_7834 ADP[m] + dTTP[c] => ADP[c] + dTTP[m] 1000 0.0003824 Transport reactions +HMR_7835 dTTP[c] + dUDP[m] => dTTP[m] + dUDP[c] 1000 1.405163211 Transport reactions +HMR_7836 dTDP[m] + dTTP[c] => dTDP[c] + dTTP[m] 1000 1.405163246 Transport reactions +HMR_7837 dGDP[m] + dTTP[c] => dGDP[c] + dTTP[m] 1000 1.405163246 Transport reactions +HMR_7838 dADP[m] + dTTP[c] => dADP[c] + dTTP[m] 1000 1.405163246 Transport reactions +HMR_7839 dATP[c] + dUDP[m] => dATP[m] + dUDP[c] 1000 1.405163215 Transport reactions +HMR_7840 dCDP[m] + dTTP[c] => dCDP[c] + dTTP[m] 1000 1.405163246 Transport reactions +HMR_7841 dCDP[m] + dCTP[c] => dCDP[c] + dCTP[m] 1000 0.779792562 Transport reactions +HMR_7842 dCTP[c] + dUDP[m] => dCTP[m] + dUDP[c] 1000 0.779792562 Transport reactions +HMR_7843 dCTP[c] + dGDP[m] => dCTP[m] + dGDP[c] 1000 0.779792561 Transport reactions +HMR_7844 dADP[m] + dCTP[c] => dADP[c] + dCTP[m] 1000 0.779792527 Transport reactions +HMR_7845 ADP[m] + dCTP[c] => ADP[c] + dCTP[m] 1000 0.000382213 Transport reactions +HMR_7846 ATP[m] + dCTP[c] => ATP[c] + dCTP[m] 1000 0.000382213 Transport reactions +HMR_7847 dADP[m] + dGTP[c] => dADP[c] + dGTP[m] 1000 1.405163251 Transport reactions +HMR_7850 dGTP[c] + dTDP[m] => dGTP[m] + dTDP[c] 1000 1.405163251 Transport reactions +HMR_7852 dCDP[m] + dGTP[c] => dCDP[c] + dGTP[m] 1000 1.405163246 Transport reactions +HMR_7853 dATP[c] + dGDP[m] => dATP[m] + dGDP[c] 1000 1.405163246 Transport reactions +HMR_7854 dADP[m] + dATP[c] => dADP[c] + dATP[m] 1000 1.405163245 Transport reactions +HMR_3008 ATP[c] + H2O[c] + propanoyl-CoA[c] => ADP[c] + H+[c] + Pi[c] + propanoyl-CoA[p] 999.9999906 3.31E-05 Transport reactions +HMR_3011 ATP[c] + H2O[c] + palmitoyl-CoA[c] => ADP[c] + H+[c] + palmitoyl-CoA[p] + Pi[c] 150.501961 4.90E-05 Transport reactions +HMR_3013 ATP[c] + H2O[c] + linoleoyl-CoA[c] => ADP[c] + H+[c] + linoleoyl-CoA[p] + Pi[c] 249.9999972 4.04E-09 Transport reactions +HMR_3017 (13Z)-eicosenoyl-CoA[c] + ATP[c] + H2O[c] => (13Z)-eicosenoyl-CoA[p] + ADP[c] + H+[c] + Pi[c] 117.5528197 3.65E-09 Transport reactions +HMR_3020 (15Z)-tetracosenoyl-CoA[c] => (15Z)-tetracosenoyl-CoA[p] 96.32335842 2.27E-05 Transport reactions +HMR_3023 hexacosenoyl-CoA[c] => hexacosenoyl-CoA[p] 88.2959508 1.71E-08 Transport reactions +HMR_2585 EPA[c] + H+[c] + NADPH[c] + O2[c] => (18R)-HEPE[c] + H2O[c] + NADP+[c] 333.3320181 2.06E-05 Transport reactions +HMR_4887 H2O[c] => H2O[l] 999.9999848 0.001746302 Transport reactions +HMR_5047 Pi[l] => Pi[c] 999.9999848 0.001746302 Transport reactions +HMR_5067 glutamate[l] => glutamate[c] 999.9999848 0.000981453 Transport reactions +HMR_7924 10-formyl-THF-glu(7)[c] => 10-formyl-THF-glu(7)[l] 166.6666641 0.000163575 Transport reactions +HMR_8661 ATP[c] + cholesterol[g] + H2O[c] => ADP[c] + cholesterol[c] + H+[c] + Pi[c] 1000 0.001681601 Transport reactions +HMR_4906 ADP[r] + ATP[c] => ADP[c] + ATP[r] 470.5863795 7.14E-05 Transport reactions +HMR_0031 "0.19 1,2-diacylglycerol-LD-TAG pool[c] + 0.0014 1-acyl-PE pool[c] + 0.0024 1-radyl-2-acyl-sn-glycero-3-phosphocholine[c] + 0.0006 2-lysolecithin pool[c] + 0.005 cholesterol[c] + 0.34 cholesterol-ester pool[c] + 0.0008 O-1-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine[c] + 0.0092 PC-LD pool[c] + 0.0034 PE-LD pool[c] + 0.0016 PI pool[c] + 0.0002 PS-LD pool[c] + 0.0004 SM pool[c] + 0.44 TAG-LD pool[c] + 0.005 fatty acid pool[c] => lipid droplet[c]" 1000 0.276737139 Pool reactions +HMR_0032 "lipid droplet[c] => 0.19 1,2-diacylglycerol-LD-TAG pool[c] + 0.0014 1-acyl-PE pool[c] + 0.0024 1-radyl-2-acyl-sn-glycero-3-phosphocholine[c] + 0.0006 2-lysolecithin pool[c] + 0.005 cholesterol[c] + 0.34 cholesterol-ester pool[c] + 0.0008 O-1-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine[c] + 0.0092 PC-LD pool[c] + 0.0034 PE-LD pool[c] + 0.0016 PI pool[c] + 0.0002 PS-LD pool[c] + 0.0004 SM pool[c] + 0.44 TAG-LD pool[c] + 0.005 fatty acid pool[c]" 1000 0.276737139 Pool reactions +APOCFm lysine[m] + [apocarboxlase][m] => H+[m] + H2O[m] + apoC-lys[m] 999.9998959 1.26E-06 Biotin metabolism +APOC_LYS_BTNPm H2O[m] + apoC-lys_btn[m] => [apocarboxlase][m] + biocytin[m] 999.9998959 1.26E-06 Biotin metabolism +BACCLm ATP[m] + H+[m] + biotin[m] => PPi[m] + biotinyl-5-AMP[m] 999.9998959 1.26E-06 Biotin metabolism +BTNDm H2O[m] + biocytin[m] => lysine[m] + biotin[m] 999.9998959 1.26E-06 Biotin metabolism +BTNPLm apoC-lys[m] + biotinyl-5-AMP[m] => AMP[m] + H+[m] + apoC-lys_btn[m] 999.9998959 1.26E-06 Biotin metabolism +BTNt3i ATP[c] + biotin[s] + H2O[c] + Na+[s] => ADP[c] + biotin[c] + H+[c] + Na+[c] + Pi[c] 3.17E-07 3.17E-07 Transport reactions +C14STRr "H+[r] + NADPH[r] + 4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol[r] => NADP+[r] + 14-demethyllanosterol[r]" 1000 4.20E-05 Cholesterol metabolism +C161CPT12 L-carnitine[c] + (2E)-hexadecenoyl-CoA[c] <=> CoA[c] + hexadecenoylcarnitine(9)[c] 999.9960542 1.15E-05 Fatty acid oxidation +C181CPT1 L-carnitine[c] + oleoyl-CoA[c] <=> CoA[c] + octadecenoylcarnitine(5)[c] 2000 3.39E-05 Fatty acid oxidation +CAATPS ATP[c] + Ca2+[c] + H2O[c] => ADP[c] + Ca2+[s] + H+[s] + Pi[c] 1000 0.00163922 Transport reactions +CDS CTP[c] + H+[c] + phosphatidate-LD-PI pool[c] => CDP-diacylglycerol-LD-PI pool[c] + PPi[c] 1000 0.005055354 Glycerophospholipid metabolism +COQ3m "SAM[m] + 2-Decaprenyl-5-Hydroxy-6-Methoxy-3-Methyl-1,4-Benzoquinone[m] => H+[m] + SAH[m] + ubiquinone[m]" 3.17E-07 3.17E-07 Ubiquinone synthesis +COQ5m "SAM[m] + 2-Decaprenyl-6-Methoxy-1,4-Benzoquinone[m] => H+[m] + SAH[m] + 2-Decaprenyl-6-Methoxy-3-Methyl-1,4-Benzoquinone[m]" 3.17E-07 3.17E-07 Ubiquinone synthesis +COQ6m "2-methoxy-6-(all-trans-decaprenyl)phenol[m] + O2[m] => H2O[m] + 2-Decaprenyl-6-Methoxy-1,4-Benzoquinone[m]" 3.17E-07 3.17E-07 Ubiquinone synthesis +COQ7m "H+[m] + NADPH[m] + O2[m] + 2-Decaprenyl-6-Methoxy-3-Methyl-1,4-Benzoquinone[m] => H2O[m] + NADP+[m] + 2-Decaprenyl-5-Hydroxy-6-Methoxy-3-Methyl-1,4-Benzoquinone[m]" 3.17E-07 3.17E-07 Ubiquinone synthesis +DESAT16_2 H+[c] + NADH[c] + O2[c] + palmitoyl-CoA[c] => 2 H2O[c] + NAD+[c] + palmitoleoyl-CoA[c] 999.9961197 0.000116736 Fatty acid biosynthesis +DESAT18_10 "H+[c] + linolenoyl-CoA[c] + NADH[c] + O2[c] => (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[c] + 2 H2O[c] + NAD+[c]" 999.9961958 4.88E-05 Fatty acid biosynthesis +DESAT18_3 H+[c] + NADH[c] + O2[c] + stearoyl-CoA[c] => 2 H2O[c] + NAD+[c] + oleoyl-CoA[c] 704.064963 0.000502578 Fatty acid biosynthesis +DESAT18_4 H+[c] + NADH[c] + O2[c] + stearoyl-CoA[c] => 2 H2O[c] + NAD+[c] + 11-Octadecenoyl Coenzyme A[c] 690.1146539 2.30E-05 Fatty acid biosynthesis +DESAT18_5 H+[c] + NADH[c] + O2[c] + stearoyl-CoA[c] => (2E)-octadecenoyl-CoA[c] + 2 H2O[c] + NAD+[c] 999.9960542 0.000182974 Fatty acid biosynthesis +DESAT18_6 "H+[c] + NADH[c] + O2[c] + oleoyl-CoA[c] => (6Z,9Z)-octadecadienoyl-CoA[c] + 2 H2O[c] + NAD+[c]" 133.9085585 2.30E-05 Fatty acid biosynthesis +DESAT18_7 "H+[c] + NADH[c] + O2[c] + 11-Octadecenoyl Coenzyme A[c] => (6Z,9Z)-octadecadienoyl-CoA[c] + 2 H2O[c] + NAD+[c]" 133.9085585 2.30E-05 Fatty acid biosynthesis +DESAT18_8 "(2E)-octadecenoyl-CoA[c] + H+[c] + NADH[c] + O2[c] => (6Z,9Z)-octadecadienoyl-CoA[c] + 2 H2O[c] + NAD+[c]" 135.075458 2.60E-05 Fatty acid biosynthesis +DESAT18_9 H+[c] + linoleoyl-CoA[c] + NADH[c] + O2[c] => gamma-linolenoyl-CoA[c] + 2 H2O[c] + NAD+[c] 999.9960542 0.000837715 Fatty acid biosynthesis +DESAT20_1 dihomo-gamma-linolenoyl-CoA[c] + H+[c] + NADH[c] + O2[c] => arachidonyl-CoA[c] + 2 H2O[c] + NAD+[c] 999.9902696 0.00065684 Fatty acid biosynthesis +DESAT20_2 "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[c] + H+[c] + NADH[c] + O2[c] => (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[c] + 2 H2O[c] + NAD+[c]" 999.9867851 8.20E-05 Fatty acid biosynthesis +EBP1r "zymosterol[r] => 5alpha-cholesta-7,24-dien-3beta-ol[r]" 1000 0.000126297 Cholesterol metabolism +EBP2r cholestenol[r] => lathosterol[r] 1000 0.000483187 Cholesterol metabolism +ELAIDCPT1 (2E)-octadecenoyl-CoA[c] + L-carnitine[c] <=> (9E)-octadecenoylcarnitine[c] + CoA[c] 2000 3.59E-05 Fatty acid oxidation +ETFQO ubiquinone[m] + Electron Transfer Flavoprotein Reduced[m] => ubiquinol[m] + Electron Transfer Flavoprotein Oxidized[m] 1000 0.071556347 Fatty acid oxidation +FAEL183 gamma-linolenoyl-CoA[c] + 5 H+[c] + malonyl-CoA[c] + 4 NADPH[c] + O2[c] => CO2[c] + CoA[c] + dihomo-gamma-linolenoyl-CoA[c] + 3 H2O[c] + 4 NADP+[c] 999.7397839 0.000448991 Fatty acid biosynthesis +FAEL184 "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[c] + 5 H+[c] + malonyl-CoA[c] + 4 NADPH[c] + O2[c] => (8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[c] + CO2[c] + CoA[c] + 3 H2O[c] + 4 NADP+[c]" 690.1146433 0.000118555 Fatty acid biosynthesis +FAEL204 "arachidonyl-CoA[c] + 5 H+[c] + malonyl-CoA[c] + 4 NADPH[c] + O2[c] => (7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[c] + CO2[c] + CoA[c] + 3 H2O[c] + 4 NADP+[c]" 690.1146164 0.000192438 Fatty acid biosynthesis +FAEL205 "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[c] + 5 H+[c] + malonyl-CoA[c] + 4 NADPH[c] + O2[c] => (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA[c] + CO2[c] + CoA[c] + 3 H2O[c] + 4 NADP+[c]" 333.3320312 3.76E-05 Fatty acid biosynthesis +FAOXC140 6 CoA[m] + 6 FAD[m] + 6 H2O[m] + myristoyl-CoA[m] + 6 NAD+[m] => 7 acetyl-CoA[m] + 6 FADH2[m] + 6 H+[m] + 6 NADH[m] 171.9916459 3.43E-05 Fatty acid oxidation +FAOXC150m 6 CoA[m] + 6 FAD[m] + 6 H2O[m] + 6 NAD+[m] + pentadecanoyl-CoA[m] => 6 acetyl-CoA[m] + 6 FADH2[m] + 6 H+[m] + 6 NADH[m] + propanoyl-CoA[m] 166.6665276 8.65E-06 Fatty acid oxidation +FAOXC160 7 CoA[m] + 7 FAD[m] + 7 H2O[m] + 7 NAD+[m] + palmitoyl-CoA[m] => 8 acetyl-CoA[m] + 7 FADH2[m] + 7 H+[m] + 7 NADH[m] 149.5596919 0.00011763 Fatty acid oxidation +FAOXC16080m 4 CoA[m] + 4 FAD[m] + 4 H2O[m] + 4 NAD+[m] + palmitoyl-CoA[m] => 4 acetyl-CoA[m] + 4 FADH2[m] + 4 H+[m] + 4 NADH[m] + octanoyl-CoA[m] 151.3522262 3.46E-05 Fatty acid oxidation +FAOXC16080x 4 CoA[p] + 4 H2O[p] + 4 NAD+[p] + 4 O2[p] + palmitoyl-CoA[p] => 4 acetyl-CoA[p] + 4 H+[p] + 4 H2O2[p] + 4 NADH[p] + octanoyl-CoA[p] 150.501961 4.90E-05 Fatty acid oxidation +FAOXC161802m (2E)-hexadecenoyl-CoA[m] + 4 CoA[m] + 3 FAD[m] + 4 H2O[m] + 4 NAD+[m] => 4 acetyl-CoA[m] + 3 FADH2[m] + 4 H+[m] + 4 NADH[m] + octanoyl-CoA[m] 151.5695017 3.49E-05 Fatty acid oxidation +FAOXC16180m 4 CoA[m] + 3 FAD[m] + 4 H2O[m] + 4 NAD+[m] + palmitoleoyl-CoA[m] => 4 acetyl-CoA[m] + 3 FADH2[m] + 4 H+[m] + 4 NADH[m] + octanoyl-CoA[m] 150.6658721 1.96E-05 Fatty acid oxidation +FAOXC170m 7 CoA[m] + 7 FAD[m] + 7 H2O[m] + heptadecanoyl-CoA[m] + 7 NAD+[m] => 7 acetyl-CoA[m] + 7 FADH2[m] + 7 H+[m] + 7 NADH[m] + propanoyl-CoA[m] 142.8570237 8.49E-06 Fatty acid oxidation +FAOXC180 CoA[m] + FAD[m] + H2O[m] + NAD+[m] + stearoyl-CoA[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + palmitoyl-CoA[m] 1000 9.37E-05 Fatty acid oxidation +FAOXC180x CoA[p] + H2O[p] + NAD+[p] + O2[p] + stearoyl-CoA[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] + palmitoyl-CoA[p] 133.7135562 3.85E-05 Fatty acid oxidation +FAOXC1811601m (2E)-octadecenoyl-CoA[m] + 5 CoA[m] + 4 FAD[m] + 5 H2O[m] + 5 NAD+[m] => 5 acetyl-CoA[m] + 4 FADH2[m] + 5 H+[m] + 5 NADH[m] + octanoyl-CoA[m] 135.3904778 3.42E-05 Fatty acid oxidation +FAOXC1811602m 5 CoA[m] + 4 FAD[m] + 5 H2O[m] + 5 NAD+[m] + 11-Octadecenoyl Coenzyme A[m] => 5 acetyl-CoA[m] + 4 FADH2[m] + 5 H+[m] + 5 NADH[m] + octanoyl-CoA[m] 134.0113523 1.21E-05 Fatty acid oxidation +FAOXC1811603m 5 CoA[m] + 4 FAD[m] + 5 H2O[m] + 5 NAD+[m] + oleoyl-CoA[m] => 5 acetyl-CoA[m] + 4 FADH2[m] + 5 H+[m] + 5 NADH[m] + octanoyl-CoA[m] 134.0113523 1.75E-05 Fatty acid oxidation +FAOXC182806m 5 CoA[m] + 3 FAD[m] + 5 H2O[m] + linoleoyl-CoA[m] + 5 NAD+[m] => 5 acetyl-CoA[m] + 3 FADH2[m] + 5 H+[m] + 5 NADH[m] + octanoyl-CoA[m] 334.9680677 2.97E-05 Fatty acid oxidation +FAOXC18280m "(6Z,9Z)-octadecadienoyl-CoA[m] + 5 CoA[m] + 3 FAD[m] + 5 H2O[m] + 5 NAD+[m] => 5 acetyl-CoA[m] + 3 FADH2[m] + 5 H+[m] + 5 NADH[m] + octanoyl-CoA[m]" 134.8358085 1.70E-05 Fatty acid oxidation +FAOXC183803m 5 CoA[m] + 2 FAD[m] + 5 H2O[m] + linolenoyl-CoA[m] + 5 NAD+[m] => 5 acetyl-CoA[m] + 2 FADH2[m] + 5 H+[m] + 5 NADH[m] + octanoyl-CoA[m] 338.3953687 1.36E-05 Fatty acid oxidation +FAOXC183806m 5 CoA[m] + gamma-linolenoyl-CoA[m] + 5 H2O[m] + 5 NAD+[m] + 2 O2[m] => 5 acetyl-CoA[m] + 5 H+[m] + 2 H2O2[m] + 5 NADH[m] + octanoyl-CoA[m] 337.8782849 2.88E-05 Fatty acid oxidation +FAOXC18480m "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[m] + 5 CoA[m] + FAD[m] + 5 H2O[m] + 5 NAD+[m] => 5 acetyl-CoA[m] + FADH2[m] + 5 H+[m] + 5 NADH[m] + octanoyl-CoA[m]" 336.2698618 2.13E-05 Fatty acid oxidation +FAOXC18480x "5 CoA[p] + 5 H2O[p] + 5 NAD+[p] + O2[p] + (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[p] => 5 acetyl-CoA[p] + 5 H+[p] + H2O2[p] + 5 NADH[p] + octanoyl-CoA[p]" 199.9999978 5.32E-05 Fatty acid oxidation +FAOXC200180m CoA[m] + eicosanoyl-CoA[m] + FAD[m] + H2O[m] + NAD+[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + stearoyl-CoA[m] 999.9991656 2.19E-05 Fatty acid oxidation +FAOXC200180x CoA[p] + eicosanoyl-CoA[p] + H2O[p] + NAD+[p] + O2[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] + stearoyl-CoA[p] 97.13494758 2.38E-05 Fatty acid oxidation +FAOXC2031836m CoA[m] + dihomo-gamma-linolenoyl-CoA[m] + FAD[m] + H2O[m] + NAD+[m] => acetyl-CoA[m] + FADH2[m] + gamma-linolenoyl-CoA[m] + H+[m] + NADH[m] 999.9991656 2.70E-05 Fatty acid oxidation +FAOXC204 arachidonyl-CoA[m] + 9 CoA[m] + 5 FAD[m] + 9 H2O[m] + 9 NAD+[m] => 10 acetyl-CoA[m] + 5 FADH2[m] + 9 H+[m] + 9 NADH[m] 199.9999998 5.62E-05 Fatty acid oxidation +FAOXC204184m "(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA[m] + CoA[m] + FAD[m] + H2O[m] + NAD+[m] => (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[m] + acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m]" 999.9991656 3.17E-05 Fatty acid oxidation +FAOXC2051843m "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[m] + CoA[m] + H2O[m] + NAD+[m] => (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[m] + acetyl-CoA[m] + H+[m] + NADH[m]" 999.9875708 6.17E-05 Fatty acid oxidation +FAOXC2051843x "CoA[p] + H2O[p] + NAD+[p] + (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[p] => acetyl-CoA[p] + H+[p] + NADH[p] + (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[p]" 124.9999986 5.32E-05 Fatty acid oxidation +FAOXC2242046m "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[m] + CoA[m] + FAD[m] + H2O[m] + NAD+[m] => acetyl-CoA[m] + arachidonyl-CoA[m] + FADH2[m] + H+[m] + NADH[m]" 690.1146092 0.000105748 Fatty acid oxidation +FAOXC2252053m "(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[m] + CoA[m] + H2O[m] + NAD+[m] + O2[m] => (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[m] + acetyl-CoA[m] + H+[m] + H2O2[m] + NADH[m]" 333.3330731 6.64E-05 Fatty acid oxidation +FAOXC2252053x "(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[p] + CoA[p] + H2O[p] + NAD+[p] + O2[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] + (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[p]" 124.9999986 5.32E-05 Fatty acid oxidation +FAOXC226205m "(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[m] + CoA[m] + H2O[m] + NAD+[m] => (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[m] + acetyl-CoA[m] + H+[m] + NADH[m]" 199.9992499 1.73E-05 Fatty acid oxidation +FAOXC226205x "(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[p] + CoA[p] + H2O[p] + NAD+[p] => acetyl-CoA[p] + H+[p] + NADH[p] + (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA[p]" 124.9999986 4.71E-05 Fatty acid oxidation +FAOXC240200x 2 CoA[p] + 2 H2O[p] + 2 NAD+[p] + 2 O2[p] + tetracosanoyl-CoA[p] => 2 acetyl-CoA[p] + eicosanoyl-CoA[p] + 2 H+[p] + 2 H2O2[p] + 2 NADH[p] 97.13494758 2.38E-05 Fatty acid oxidation +FAOXC241181x (15Z)-tetracosenoyl-CoA[p] + 3 CoA[p] + 3 H2O[p] + 3 NAD+[p] + 3 O2[p] => 3 acetyl-CoA[p] + 3 H+[p] + 3 H2O2[p] + 3 NADH[p] + oleoyl-CoA[p] 96.32335842 5.45E-09 Fatty acid oxidation +FAOXC2452256x "(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA[p] + CoA[p] + H2O[p] + NAD+[p] + O2[p] => (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[p] + acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p]" 333.3330843 9.33E-05 Fatty acid oxidation +FAOXC246226x "(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA[p] + CoA[p] + H2O[p] + NAD+[p] + O2[p] => (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[p] + acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p]" 124.9999986 4.71E-05 Fatty acid oxidation +FAOXC260240x CoA[p] + H2O[p] + hexacosanoyl-CoA[p] + NAD+[p] + O2[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] + tetracosanoyl-CoA[p] 999.9991656 0.000180029 Fatty acid oxidation +FAOXC80 3 CoA[m] + 3 FAD[m] + 3 H2O[m] + 3 NAD+[m] + octanoyl-CoA[m] => 4 acetyl-CoA[m] + 3 FADH2[m] + 3 H+[m] + 3 NADH[m] 388.8888888 4.38E-05 Fatty acid oxidation +FAS80COA_L acetyl-CoA[c] + 9 H+[c] + 3 malonyl-CoA[c] + 6 NADPH[c] => 3 CO2[c] + 3 CoA[c] + 3 H2O[c] + 6 NADP+[c] + octanoyl-CoA[c] 333.3330552 2.40E-05 Fatty acid biosynthesis +FCLTm Fe2+[m] + protoporphyrin[m] => 2 H+[m] + heme[m] 20.83333333 7.14E-06 Heme synthesis +G3PD2m FAD[m] + sn-glycerol-3-phosphate[c] => DHAP[c] + FADH2[m] 1000 0.00185735 Glycolysis / Gluconeogenesis +GLDBRAN glycogenin G4G4[c] + H2O[c] => glucose[c] + glycogenin G7[c] 181.8135596 2.85E-07 Starch and sucrose metabolism +LCAT1e cholesterol[s] + PC-LD pool[s] => cholesterol-ester pool[s] + 2-lysolecithin pool[s] 58.92316939 3.09E-07 Fatty acid oxidation +LIPOti ATP[c] + H2O[c] + lipoic acid[s] + Na+[s] => ADP[c] + H+[c] + lipoic acid[c] + Na+[c] + Pi[c] 3.17E-07 3.17E-07 Transport reactions +LNELDCCRNt "(6Z,9Z)-octadecadienoylcarnitine[c] <=> (6Z,9Z)-octadecadienoylcarnitine[m]" 2000 0.000105678 Fatty acid oxidation +LNLNCACPT1 L-carnitine[c] + linolenoyl-CoA[c] <=> CoA[c] + Alpha-Linolenyl Carnitine[c] 2000 2.32E-05 Fatty acid oxidation +LRAT1 11-cis-retinol[c] + PC-LD pool[c] => 2-lysolecithin pool[c] + retinyl-ester[c] 999.9999874 0.000132214 Vitamin A metabolism +P45027A15m "5beta-cholestane-3alpha,7alpha,26-triol[m] + H+[m] + NADPH[m] + O2[m] => 3alpha,7alpha-dihydroxy-5beta-cholestan-26-al[m] + 2 H2O[m] + NADP+[m]" 999.9960542 3.65E-05 Bile acid biosynthesis +PGPP_hs H2O[c] + PGP-CL pool[c] => Pi[c] + PG-CL pool[c] 110.7025932 1.87E-05 Glycerophospholipid metabolism +PGPPT sn-glycerol-3-phosphate[c] + CDP-diacylglycerol-CL pool[c] => CMP[c] + H+[c] + PGP-CL pool[c] 110.7025932 1.87E-05 Glycerophospholipid metabolism +PNTOt5 ATP[c] + H2O[c] + Na+[s] + pantothenate[s] => ADP[c] + H+[c] + Na+[c] + pantothenate[c] + Pi[c] 8.73E-05 8.73E-05 Transport reactions +PPPGOm 3 O2[m] + 2 protoporphyrinogen IX[m] => 6 H2O[m] + 2 protoporphyrin[m] 10.41666667 3.75E-06 Heme synthesis +RDH2a 9-cis-retinol[c] + NADP+[c] => 9-cis-retinal[c] + H+[c] + NADPH[c] 1000 0.418077669 Vitamin A metabolism +SQLSr H+[r] + NADPH[r] + 2 farnesyl-PP[r] => NADP+[r] + 2 PPi[r] + squalene[r] 1000 0.000463754 Cholesterol metabolism +THMTPt 3 H2O[s] + thiamin-PPP[c] => 3 H2O[c] + thiamin-PPP[s] 333.1025342 6.71E-05 Transport reactions +r0309 NADP+[m] + palmitoyl-CoA[m] <=> (2E)-hexadecenoyl-CoA[m] + H+[m] + NADPH[m] 1151.872775 0.001567836 Fatty acid oxidation +r0310 palmitoyl-CoA[m] + ubiquinone[m] => (2E)-hexadecenoyl-CoA[m] + ubiquinol[m] 1000 0.001491021 Fatty acid oxidation +r0510 2 ferrocytochrome B5[c] + 2 H+[c] + O2[c] + palmitoyl-CoA[c] => 2 ferricytochrome B5[c] + 2 H2O[c] + palmitoleoyl-CoA[c] 999.9961197 0.000116724 Miscellaneous +r0511 2 ferrocytochrome B5[c] + 2 H+[c] + O2[c] + stearoyl-CoA[c] => 2 ferricytochrome B5[c] + 2 H2O[c] + oleoyl-CoA[c] 704.064963 0.00050254 Miscellaneous +r0633 NADP+[m] + octanoyl-CoA[m] <=> (2E)-octenoyl-CoA[m] + H+[m] + NADPH[m] 1527.58102 0.001554965 Fatty acid oxidation +r0638 lauroyl-CoA[m] + NADP+[m] <=> (2E)-dodecenoyl-CoA[m] + H+[m] + NADPH[m] 1205.086848 0.001545164 Fatty acid oxidation +r0652 myristoyl-CoA[m] + NADP+[m] <=> (2E)-tetradecenoyl-CoA[m] + H+[m] + NADPH[m] 1173.506794 0.001545727 Fatty acid oxidation +r0701 HMA[c] + NADP+[c] => 3-oxotetradecanoyl-[ACP][c] + H+[c] + NADPH[c] 1000 0.075892553 Fatty acid biosynthesis +r0735 decanoyl-CoA[m] + NADP+[m] <=> (2E)-decenoyl-CoA[m] + H+[m] + NADPH[m] 1205.086848 0.001545164 Fatty acid oxidation +r0752 "H2O[m] + NAD+[m] + 3,4-dihydroxymandelaldehyde[m] <=> 2 H+[m] + NADH[m] + 3,4-dihydroxymandelate[m]" 1000 0.020976705 Miscellaneous +r0753 "H2O[m] + NADP+[m] + 3,4-dihydroxymandelaldehyde[m] => 2 H+[m] + NADPH[m] + 3,4-dihydroxymandelate[m]" 1000 0.020976705 Miscellaneous +r0754 H2O[m] + NAD+[m] + 3-methoxy-4-hydroxyphenylacetaldehyde[m] <=> 2 H+[m] + NADH[m] + homovanillate[m] 1000 0.020976705 Miscellaneous +r0755 H2O[m] + NADP+[m] + 3-methoxy-4-hydroxyphenylacetaldehyde[m] => 2 H+[m] + NADPH[m] + homovanillate[m] 1000 0.020976705 Miscellaneous +r0756 H2O[m] + NAD+[m] + 3-methoxy-4-hydroxyphenylglycolaldehyde[m] <=> 2 H+[m] + NADH[m] + vanillylmandelate[m] 1000 0.020976705 Miscellaneous +r0757 H2O[m] + NADP+[m] + 3-methoxy-4-hydroxyphenylglycolaldehyde[m] => 2 H+[m] + NADPH[m] + vanillylmandelate[m] 1000 0.020976705 Miscellaneous +r0791 (2E)-hexenoyl-CoA[m] + H+[m] + NADPH[m] <=> hexanoyl-CoA[m] + NADP+[m] 1527.58102 0.001455303 Fatty acid oxidation +r1165 cholesterol[r] + (2E)-hexadecenoyl-CoA[r] => cholesterol-ester-palmn[r] + CoA[r] 285.7133316 2.42E-05 Miscellaneous +r1251 ATP[r] + CoA[r] + palmitolate[r] => AMP[r] + PPi[r] + (2E)-hexadecenoyl-CoA[r] 285.7133316 2.42E-05 Fatty acid oxidation +r1252 ATP[c] + CoA[c] + palmitolate[c] => AMP[c] + PPi[c] + (2E)-hexadecenoyl-CoA[c] 999.9960542 1.15E-05 Fatty acid oxidation +r1253 ATP[r] + CoA[r] + 8 H+[r] + stearidonic acid[r] => AMP[r] + PPi[r] + stearoyl-CoA[r] 74.9997497 1.29E-05 Fatty acid oxidation +r1259 ATP[r] + CoA[r] + linolenate[r] => AMP[r] + gamma-linolenoyl-CoA[r] + PPi[r] 999.999973 8.80E-06 Fatty acid oxidation +r1431 dADP[m] + H2O[m] + oxidized thioredoxin[m] => ADP[m] + thioredoxin[m] 1000 0.000102191 Miscellaneous +r1432 dGDP[m] + H2O[m] + oxidized thioredoxin[m] => GDP[m] + thioredoxin[m] 1000 0.000105678 Miscellaneous +r1433 NADP+[m] + thioredoxin[m] => H+[m] + NADPH[m] + oxidized thioredoxin[m] 1000 0.02068716 Miscellaneous +r1446 butyryl-CoA[m] + ubiquinone[m] => crotonyl-CoA[m] + ubiquinol[m] 525.7907772 4.11E-05 Miscellaneous +r1447 lauroyl-CoA[m] + ubiquinone[m] => (2E)-dodecenoyl-CoA[m] + ubiquinol[m] 1000 1.75E-08 Fatty acid oxidation +r1448 octanoyl-CoA[m] + ubiquinone[m] => (2E)-octenoyl-CoA[m] + ubiquinol[m] 1000 0.000985508 Fatty acid oxidation +r1449 myristoyl-CoA[m] + ubiquinone[m] => (2E)-tetradecenoyl-CoA[m] + ubiquinol[m] 1000 1.65E-08 Fatty acid oxidation +r1450 hexanoyl-CoA[m] + ubiquinone[m] => (2E)-hexenoyl-CoA[m] + ubiquinol[m] 1000 6.87E-05 Fatty acid oxidation +r1451 decanoyl-CoA[m] + ubiquinone[m] => (2E)-decenoyl-CoA[m] + ubiquinol[m] 1000 0.000681971 Fatty acid oxidation +r1481 3-oxooleoyl-CoA[m] + CoA[m] => acetyl-CoA[m] + palmitoleoyl-CoA[m] 690.1146527 1.85E-05 Fatty acid oxidation +r1527 ATP[c] + decanoic acid[c] + H2O[c] => ADP[c] + decanoic acid[s] + H+[c] + Pi[c] 1000 0.001576157 Transport reactions +RE1516X "FAD[p] + linoleoyl-CoA[p] <=> FADH2[p] + trans,cis,cis-2,9,12-octadecatrienoyl-CoA[p]" 999.9999888 8.15E-09 Fatty acid oxidation +RE1517X "cis,cis-palmito-7,10-dienoyl-CoA[p] + FAD[p] <=> FADH2[p] + trans,cis,cis-2,7,10-hexadecatrienoyl-CoA[p]" 999.9999888 8.12E-09 Fatty acid oxidation +RE1518X "cis,cis-myristo-5,8-dienoyl-CoA[p] + FAD[p] <=> FADH2[p] + trans-2-cis,cis-5,8-tetradecatrienoyl-CoA[p]" 999.9999888 8.15E-09 Fatty acid oxidation +RE1519X 4-cis-decenoyl-CoA[p] + FAD[p] => 2-trans-4-cis-decadienoyl-CoA[p] + FADH2[p] 249.9999972 2.91E-09 Fatty acid oxidation +RE1957R "ATP[r] + phosphatidylinositol-3,5-bisphosphate[r] => ADP[r] + H+[r] + phosphatidylinositol-3,4,5-trisphosphate[r]" 470.5863795 1.05E-05 Phosphatidylinositol phosphate metabolism +RE2912M ATP[m] + CoA[m] + palmitolate[m] => AMP[m] + palmitoleoyl-CoA[m] + PPi[m] 999.9998959 1.63E-05 Fatty acid oxidation +RE2913X "FAD[p] + palmitoleoyl-CoA[p] <=> FADH2[p] + trans,cis-hexadeca-2,9-dienoyl-CoA[p]" 1117.552809 8.17E-09 Fatty acid oxidation +RE2914X "(7Z)-tetradecenoyl-CoA[p] + FAD[p] <=> FADH2[p] + trans,cis-myristo-2,7-dienoyl-CoA[p]" 1117.552809 8.53E-09 Fatty acid oxidation +RE2972M "ATP[m] + 1-phosphatidyl-1D-myo-inositol-5-phosphate[m] => ADP[m] + H+[m] + phosphatidylinositol-4,5-bisphosphate[m]" 1000 0.000923721 Phosphatidylinositol phosphate metabolism +RE2998M "cis,cis-myristo-5,8-dienoyl-CoA[m] + O2[m] => H2O2[m] + trans-2-cis,cis-5,8-tetradecatrienoyl-CoA[m]" 333.7773599 1.74E-08 Fatty acid oxidation +RE2999M "trans-2-cis,cis-5,8-tetradecatrienoyl-CoA[m] <=> (3E,5Z,8Z)-Tetradecatrienoyl Coenzyme A[m]" 311.6087906 1.74E-08 Fatty acid oxidation +RE3003M Trans-2-Cis-8-Tetradecadienoyl Coenzyme A[m] <=> Trans-3-Cis-8-Tetradecadienoyl Coenzyme A[m] 311.6087906 1.73E-08 Fatty acid oxidation +RE3004M H2O[m] + Trans-2-Cis-8-Tetradecadienoyl Coenzyme A[m] <=> (3S)-3-Hydroxy-Cis-8-Tetradecenoyl Coenzyme A[m] 311.6087906 1.74E-08 Fatty acid oxidation +RE3005M NAD+[m] + (3S)-3-Hydroxy-Cis-8-Tetradecenoyl Coenzyme A[m] <=> H+[m] + NADH[m] + 3-Oxo-Cis-8-Tetradecenoyl Coenzyme A[m] 311.6087906 1.54E-08 Fatty acid oxidation +RE3006M CoA[m] + 3-Oxo-Cis-8-Tetradecenoyl Coenzyme A[m] <=> acetyl-CoA[m] + Cis-6-Dodecenoyl Coenzyme A[m] 311.6087906 1.74E-08 Fatty acid oxidation +RE3074X ATP[p] + CoA[p] + pristanic acid[p] <=> (2S)-pristanoyl-CoA[p] + AMP[p] + PPi[p] 2000 4.85E-05 Fatty acid oxidation +RE3148C "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA[c] + malonyl-CoA[c] => 3-oxo-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA[c] + CO2[c] + CoA[c] + H+[c]" 333.3330575 6.50E-05 Fatty acid oxidation +RE3251M "5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol[m] + H+[m] + NADPH[m] + O2[m] => 5beta-cholestane-3alpha,7alpha,12alpha,27,27-pentaol[m] + H2O[m] + NADP+[m]" 999.9960542 2.43E-05 Bile acid biosynthesis +RE3273C H2O[c] + PI pool[c] => H+[c] + inositol[c] + phosphatidate-LD-PI pool[c] 999.9998829 0.00031076 Phosphatidylinositol phosphate metabolism +RE3346M "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[m] + 2 H+[m] + NADH[m] => 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-al[m] + H2O[m] + NAD+[m]" 1000 7.29E-05 Bile acid biosynthesis +RE3446M "10,11-dihydro-12-epi-LTB4[m] + ATP[m] + CoA[m] <=> 10,11-dihydro-LTB4-CoA[m] + AMP[m] + PPi[m]" 1000 2.42E-05 Eicosanoid metabolism +RE3446X "10,11-dihydro-12-epi-LTB4[p] + ATP[p] + CoA[p] <=> 10,11-dihydro-LTB4-CoA[p] + AMP[p] + PPi[p]" 1000 2.42E-05 Eicosanoid metabolism +RE3624M "O2[m] + Cis-6-Dodecenoyl Coenzyme A[m] => H2O2[m] + trans,cis-lauro-2,6-dienoyl-CoA[m]" 311.6087906 1.74E-08 Fatty acid oxidation +RE3626M 4-cis-decenoyl-CoA[m] + O2[m] => 2-trans-4-cis-decadienoyl-CoA[m] + H2O2[m] 333.7773599 1.65E-08 Fatty acid oxidation +C140CPT1 L-carnitine[c] + myristoyl-CoA[c] <=> CoA[c] + tetradecanoylcarnitine[c] 2000 7.11E-05 Fatty acid oxidation +C4x butyryl-CoA[p] + L-carnitine[p] <=> CoA[p] + O-butanoylcarnitine[p] 1051.431139 0.000796568 Transport reactions +C60CPT1 hexanoyl-CoA[c] + L-carnitine[c] <=> CoA[c] + Hexanoyl Carnitine[c] 1054.523779 3.74E-05 Fatty acid oxidation +FAOXC101C102x 4-cis-decenoyl-CoA[p] + O2[p] => 2-trans-4-cis-decadienoyl-CoA[p] + H2O2[p] 249.9999972 4.36E-09 Fatty acid oxidation +FAOXC101C8m (2E)-decenoyl-CoA[m] + CoA[m] + H2O[m] + NAD+[m] => acetyl-CoA[m] + H+[m] + NADH[m] + octanoyl-CoA[m] 403.6994789 3.74E-05 Fatty acid oxidation +FAOXC101C8x (2E)-decenoyl-CoA[p] + CoA[p] + H2O[p] + NAD+[p] => acetyl-CoA[p] + H+[p] + NADH[p] + octanoyl-CoA[p] 249.9999972 4.71E-05 Fatty acid oxidation +FAOXC102C101m 2-trans-4-cis-decadienoyl-CoA[m] + H+[m] + NADPH[m] => NADP+[m] + trans-3-decenoyl-CoA[m] 333.7840094 2.89E-05 Fatty acid oxidation +FAOXC102C103m "FAD[m] + 4,7-Decadienoyl Coenzyme A[m] => FADH2[m] + 2,4,7-Decatrienoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC102C81m "CoA[m] + H2O[m] + NAD+[m] + 2,7-Decadienoyl Coenzyme A[m] => acetyl-CoA[m] + H+[m] + NADH[m] + 5-Octenoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC102m "3,7-Decadienoyl Coenzyme A[m] => 2,7-Decadienoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC103C102m "H+[m] + NADPH[m] + 2,4,7-Decatrienoyl Coenzyme A[m] => NADP+[m] + 3,7-Decadienoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC10C10OHm decanoyl-CoA[m] + FAD[m] + H2O[m] => (S)-hydroxydecanoyl-CoA[m] + FADH2[m] 402.7309964 3.66E-05 Fatty acid oxidation +FAOXC10C8m CoA[m] + decanoyl-CoA[m] + FAD[m] + H2O[m] + NAD+[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + octanoyl-CoA[m] 402.7309964 3.69E-05 Fatty acid oxidation +FAOXC10C8x CoA[p] + decanoyl-CoA[p] + H2O[p] + NAD+[p] + O2[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] + octanoyl-CoA[p] 150.501961 4.90E-05 Fatty acid oxidation +FAOXC11C9m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + Undecanoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + Nonanoyl Coenzyme A[m] 166.6665276 8.64E-06 Fatty acid oxidation +FAOXC121C101m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + 5-Dodecenoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + trans-3-decenoyl-CoA[m] 150.6658721 1.95E-05 Fatty acid oxidation +FAOXC121C10x (2E)-dodecenoyl-CoA[p] + CoA[p] + H2O[p] + NAD+[p] => acetyl-CoA[p] + decanoyl-CoA[p] + H+[p] + NADH[p] 150.501961 2.27E-05 Fatty acid oxidation +FAOXC122C101m "CoA[m] + H2O[m] + NAD+[m] + 2,6-Dodecadienoyl Coenzyme A[m] => 4-cis-decenoyl-CoA[m] + acetyl-CoA[m] + H+[m] + NADH[m]" 333.7840094 2.89E-05 Fatty acid oxidation +FAOXC122m "3,6-Dodecadienoyl Coenzyme A[m] => 2,6-Dodecadienoyl Coenzyme A[m]" 333.7840094 2.89E-05 Fatty acid oxidation +FAOXC123C102m "CoA[m] + H2O[m] + NAD+[m] + 2,6,9-Dodecatrienoyl Coenzyme A[m] => acetyl-CoA[m] + H+[m] + NADH[m] + 4,7-Decadienoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC123m "3,6,9-Dodecatrienoyl Coenzyme A[m] => 2,6,9-Dodecatrienoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC12C10m CoA[m] + FAD[m] + H2O[m] + lauroyl-CoA[m] + NAD+[m] => acetyl-CoA[m] + decanoyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] 205.007499 3.53E-05 Fatty acid oxidation +FAOXC12C10x CoA[p] + H2O[p] + lauroyl-CoA[p] + NAD+[p] + O2[p] => acetyl-CoA[p] + decanoyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] 150.501961 4.90E-05 Fatty acid oxidation +FAOXC12C12OHm FAD[m] + H2O[m] + lauroyl-CoA[m] => (S)-3-hydroxydodecanoyl-CoA[m] + FADH2[m] 205.007499 3.52E-05 Fatty acid oxidation +FAOXC13C11m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + Tridecanoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + Undecanoyl Coenzyme A[m] 166.6665276 8.64E-06 Fatty acid oxidation +FAOXC141C121m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + 7-Tetradecenoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 5-Dodecenoyl Coenzyme A[m] 150.6658721 1.95E-05 Fatty acid oxidation +FAOXC141C121x CoA[p] + H2O[p] + NAD+[p] + O2[p] + 5-Tetradecenoyl Coenzyme A[p] => (3Z)-dodecenoyl-CoA[p] + acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] 96.32335842 2.27E-05 Fatty acid oxidation +FAOXC142C122m "CoA[m] + FAD[m] + H2O[m] + NAD+[m] + 5,8-Tetradecadienoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 3,6-Dodecadienoyl Coenzyme A[m]" 333.7840094 2.89E-05 Fatty acid oxidation +FAOXC143C123m "CoA[m] + FAD[m] + H2O[m] + NAD+[m] + 5,8,11-Tetradecatrienoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 3,6,9-Dodecatrienoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC14C12m CoA[m] + FAD[m] + H2O[m] + myristoyl-CoA[m] + NAD+[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + lauroyl-CoA[m] + NADH[m] 173.427751 3.58E-05 Fatty acid oxidation +FAOXC14C12x CoA[p] + H2O[p] + myristoyl-CoA[p] + NAD+[p] + O2[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + lauroyl-CoA[p] + NADH[p] 150.501961 4.90E-05 Fatty acid oxidation +FAOXC14C14OHm FAD[m] + H2O[m] + myristoyl-CoA[m] => (S)-3-hydroxytetradecanoyl-CoA[m] + FADH2[m] 173.427751 3.57E-05 Fatty acid oxidation +FAOXC15C13m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + pentadecanoyl-CoA[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + Tridecanoyl Coenzyme A[m] 166.6665276 8.64E-06 Fatty acid oxidation +FAOXC161C141m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + palmitoleoyl-CoA[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 7-Tetradecenoyl Coenzyme A[m] 150.6658721 1.95E-05 Fatty acid oxidation +FAOXC161C141x CoA[p] + H2O[p] + NAD+[p] + O2[p] + 7-Hexadecenoyl Coenzyme A[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] + 5-Tetradecenoyl Coenzyme A[p] 96.32335842 2.27E-05 Fatty acid oxidation +FAOXC162C142m "CoA[m] + FAD[m] + H2O[m] + NAD+[m] + 7,10-Hexadecadienoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 5,8-Tetradecadienoyl Coenzyme A[m]" 333.7840094 2.89E-05 Fatty acid oxidation +FAOXC163C143m "CoA[m] + FAD[m] + H2O[m] + NAD+[m] + 7,10,13-Hexadecatrienoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 5,8,11-Tetradecatrienoyl Coenzyme A[m]" 233.3333333 1.33E-05 Fatty acid oxidation +FAOXC163C164Gm "FAD[m] + 4,7,10-Hexadecatrienoyl Coenzyme A[m] => FADH2[m] + 2,4,7,10-Hexadecatetraenoyl Coenzyme A[m]" 333.7840094 2.69E-05 Fatty acid oxidation +FAOXC163GC142m "CoA[m] + H2O[m] + NAD+[m] + 2,7,10-Hexadecatrienoyl Coenzyme A[m] => acetyl-CoA[m] + H+[m] + NADH[m] + 5,8-Tetradecadienoyl Coenzyme A[m]" 333.7840094 2.69E-05 Fatty acid oxidation +FAOXC163Gm "3,7,10-Hexadecatrienoyl Coenzyme A[m] => 2,7,10-Hexadecatrienoyl Coenzyme A[m]" 333.7840094 2.69E-05 Fatty acid oxidation +FAOXC164C143m "CoA[m] + H2O[m] + NAD+[m] + 2,7,10,13-Hexadecatetraenoyl Coenzyme A[m] => acetyl-CoA[m] + H+[m] + NADH[m] + 5,8,11-Tetradecatrienoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC164C165m "FAD[m] + 4,7,10,13-Hexadecatetraenoyl Coenzyme A[m] => FADH2[m] + 2,4,7,10,13-Hexadecapentaenoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC164GC163m "H+[m] + NADPH[m] + 2,4,7,10-Hexadecatetraenoyl Coenzyme A[m] => NADP+[m] + 3,7,10-Hexadecatrienoyl Coenzyme A[m]" 333.7840094 2.69E-05 Fatty acid oxidation +FAOXC164m "3,7,10,13-Hexadecatetraenoyl Coenzyme A[m] => 2,7,10,13-Hexadecatetraenoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC165C164m "H+[m] + NADPH[m] + 2,4,7,10,13-Hexadecapentaenoyl Coenzyme A[m] => NADP+[m] + 3,7,10,13-Hexadecatetraenoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC16C14m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + palmitoyl-CoA[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + myristoyl-CoA[m] + NADH[m] 151.7840299 5.76E-05 Fatty acid oxidation +FAOXC16C14x CoA[p] + H2O[p] + NAD+[p] + O2[p] + palmitoyl-CoA[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + myristoyl-CoA[p] + NADH[p] 150.501961 4.90E-05 Fatty acid oxidation +FAOXC17C15m CoA[m] + FAD[m] + H2O[m] + heptadecanoyl-CoA[m] + NAD+[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + pentadecanoyl-CoA[m] 142.8570255 9.55E-06 Fatty acid oxidation +FAOXC181C161m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + 11-Octadecenoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + palmitoleoyl-CoA[m] 690.1146527 1.28E-05 Fatty acid oxidation +FAOXC181C161x CoA[p] + H2O[p] + NAD+[p] + O2[p] + 9-Octadecenoyl Coenzyme A[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] + 7-Hexadecenoyl Coenzyme A[p] 96.32335842 2.27E-05 Fatty acid oxidation +FAOXC182C162m "CoA[m] + FAD[m] + H2O[m] + linoleoyl-CoA[m] + NAD+[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 7,10-Hexadecadienoyl Coenzyme A[m]" 333.7840094 2.89E-05 Fatty acid oxidation +FAOXC183C163Gm "CoA[m] + FAD[m] + gamma-linolenoyl-CoA[m] + H2O[m] + NAD+[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 4,7,10-Hexadecatrienoyl Coenzyme A[m]" 333.7840094 2.69E-05 Fatty acid oxidation +FAOXC183C163m "CoA[m] + FAD[m] + H2O[m] + linolenoyl-CoA[m] + NAD+[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 7,10,13-Hexadecatrienoyl Coenzyme A[m]" 233.3333333 1.33E-05 Fatty acid oxidation +FAOXC184C163m "CoA[m] + H2O[m] + NAD+[m] + 2,6,9,12-Octadecatetraenoyl Coenzyme A[m] => acetyl-CoA[m] + H+[m] + NADH[m] + 4,7,10-Hexadecatrienoyl Coenzyme A[m]" 188.7643492 2.01E-05 Fatty acid oxidation +FAOXC184C164m "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[m] + CoA[m] + FAD[m] + H2O[m] + NAD+[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 4,7,10,13-Hexadecatetraenoyl Coenzyme A[m]" 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC184m "3,6,9,12-Octadecatetraenoyl Coenzyme A[m] => 2,6,9,12-Octadecatetraenoyl Coenzyme A[m]" 188.7643492 2.01E-05 Fatty acid oxidation +FAOXC185C164m "CoA[m] + H2O[m] + NAD+[m] + 2,6,9,12,15-Octadecapentenoyl Coenzyme A[m] => acetyl-CoA[m] + H+[m] + NADH[m] + 4,7,10,13-Hexadecatetraenoyl Coenzyme A[m]" 116.7465066 9.29E-06 Fatty acid oxidation +FAOXC185m "3,6,9,12,15-Octadecapentenoyl Coenzyme A[m] => 2,6,9,12,15-Octadecapentenoyl Coenzyme A[m]" 116.7465066 9.29E-06 Fatty acid oxidation +FAOXC201C181x CoA[p] + H2O[p] + NAD+[p] + O2[p] + 11-Eicosenoyl Coenzyme A[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] + 9-Octadecenoyl Coenzyme A[p] 96.32335842 2.27E-05 Fatty acid oxidation +FAOXC204C184m "CoA[m] + FAD[m] + H2O[m] + NAD+[m] + 5,8,11,14-Eicosatetraenoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 3,6,9,12-Octadecatetraenoyl Coenzyme A[m]" 188.7643492 2.01E-05 Fatty acid oxidation +FAOXC205C185m "CoA[m] + FAD[m] + H2O[m] + NAD+[m] + 5,8,11,14,17-Eicosapentenoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 3,6,9,12,15-Octadecapentenoyl Coenzyme A[m]" 116.7465066 9.29E-06 Fatty acid oxidation +FAOXC221C201x CoA[p] + H2O[p] + NAD+[p] + O2[p] + 13-Docosenoyl Coenzyme A[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] + 11-Eicosenoyl Coenzyme A[p] 96.32335842 2.27E-05 Fatty acid oxidation +FAOXC225C204m "CoA[m] + H2O[m] + NAD+[m] + 2,7,10,13,16-Docosapentenoyl Coenzyme A[m] => acetyl-CoA[m] + H+[m] + NADH[m] + 5,8,11,14-Eicosatetraenoyl Coenzyme A[m]" 188.7643492 2.01E-05 Fatty acid oxidation +FAOXC225C226m "(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA[m] + FAD[m] => FADH2[m] + 2,4,7,10,13,16-Docosahexenoyl Coenzyme A[m]" 188.7643492 2.01E-05 Fatty acid oxidation +FAOXC225m "3,7,10,13,16-Docosapentenoyl Coenzyme A[m] => 2,7,10,13,16-Docosapentenoyl Coenzyme A[m]" 188.7643492 2.01E-05 Fatty acid oxidation +FAOXC226C205m "CoA[m] + H2O[m] + NAD+[m] + 2,7,10,13,16,19-Docosahexenoyl Coenzyme A[m] => acetyl-CoA[m] + H+[m] + NADH[m] + 5,8,11,14,17-Eicosapentenoyl Coenzyme A[m]" 116.7465066 9.29E-06 Fatty acid oxidation +FAOXC226C225m "H+[m] + NADPH[m] + 2,4,7,10,13,16-Docosahexenoyl Coenzyme A[m] => NADP+[m] + 3,7,10,13,16-Docosapentenoyl Coenzyme A[m]" 188.7643492 2.01E-05 Fatty acid oxidation +FAOXC226C227m "(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA[m] + FAD[m] => FADH2[m] + 2,4,7,10,13,16,19-Docosaheptenoyl Coenzyme A[m]" 116.7465066 9.29E-06 Fatty acid oxidation +FAOXC226m "3,7,10,13,16,19-Docosahexenoyl Coenzyme A[m] => 2,7,10,13,16,19-Docosahexenoyl Coenzyme A[m]" 116.7465066 9.29E-06 Fatty acid oxidation +FAOXC227C226m "H+[m] + NADPH[m] + 2,4,7,10,13,16,19-Docosaheptenoyl Coenzyme A[m] => NADP+[m] + 3,7,10,13,16,19-Docosahexenoyl Coenzyme A[m]" 116.7465066 9.29E-06 Fatty acid oxidation +FAOXC22C20x CoA[p] + docosanoyl-CoA[p] + H2O[p] + NAD+[p] + O2[p] => acetyl-CoA[p] + eicosanoyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] 97.13494758 2.38E-05 Fatty acid oxidation +FAOXC241C221x (15Z)-tetracosenoyl-CoA[p] + CoA[p] + H2O[p] + NAD+[p] + O2[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] + 13-Docosenoyl Coenzyme A[p] 96.32335842 2.27E-05 Fatty acid oxidation +FAOXC24C22x CoA[p] + H2O[p] + NAD+[p] + O2[p] + tetracosanoyl-CoA[p] => acetyl-CoA[p] + docosanoyl-CoA[p] + H+[p] + H2O2[p] + NADH[p] 97.13494758 2.38E-05 Fatty acid oxidation +FAOXC4C2m butyryl-CoA[m] + CoA[m] + FAD[m] + H2O[m] + NAD+[m] => 2 acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] 525.7907772 5.32E-05 Fatty acid oxidation +FAOXC5C3x CoA[m] + FAD[m] + H2O[m] + NAD+[m] + Pentanoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + propanoyl-CoA[m] 166.6665276 8.64E-06 Fatty acid oxidation +FAOXC61C4m (2E)-hexenoyl-CoA[m] + CoA[m] + H2O[m] + NAD+[m] => acetyl-CoA[m] + butyryl-CoA[m] + H+[m] + NADH[m] 527.5810197 4.54E-05 Fatty acid oxidation +FAOXC61C4x (2E)-hexenoyl-CoA[p] + CoA[p] + H2O[p] + NAD+[p] => acetyl-CoA[p] + butyryl-CoA[p] + H+[p] + NADH[p] 527.2618893 3.06E-05 Fatty acid oxidation +FAOXC61m 3-Hexenoyl Coenzyme A[m] => (2E)-hexenoyl-CoA[m] 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC6C4m CoA[m] + FAD[m] + H2O[m] + hexanoyl-CoA[m] + NAD+[m] => acetyl-CoA[m] + butyryl-CoA[m] + FADH2[m] + H+[m] + NADH[m] 526.4259 4.44E-05 Fatty acid oxidation +FAOXC6C4x CoA[p] + H2O[p] + hexanoyl-CoA[p] + NAD+[p] + O2[p] => acetyl-CoA[p] + butyryl-CoA[p] + H+[p] + H2O2[p] + NADH[p] 527.2618893 5.32E-05 Fatty acid oxidation +FAOXC7C5m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + Heptanoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + Pentanoyl Coenzyme A[m] 166.6665276 8.64E-06 Fatty acid oxidation +FAOXC81C61m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + 5-Octenoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + 3-Hexenoyl Coenzyme A[m] 233.3333333 2.03E-05 Fatty acid oxidation +FAOXC8C6m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + octanoyl-CoA[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + hexanoyl-CoA[m] + NADH[m] 526.4259 4.48E-05 Fatty acid oxidation +FAOXC8C6x CoA[p] + H2O[p] + NAD+[p] + O2[p] + octanoyl-CoA[p] => acetyl-CoA[p] + H+[p] + H2O2[p] + hexanoyl-CoA[p] + NADH[p] 527.2618893 5.32E-05 Fatty acid oxidation +FAOXC9C7m CoA[m] + FAD[m] + H2O[m] + NAD+[m] + Nonanoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + Heptanoyl Coenzyme A[m] 166.6665276 8.64E-06 Fatty acid oxidation +FAOXTC101TC102m FAD[m] + Trans4Decenoyl Coenzyme A[m] => FADH2[m] + Cis2Trans4Decadienoyl Coenzyme A[m] 133.8829867 1.67E-05 Fatty acid oxidation +FAOXTC102C101m H+[m] + NADPH[m] + Cis2Trans4Decadienoyl Coenzyme A[m] => NADP+[m] + trans-3-decenoyl-CoA[m] 133.8829867 1.67E-05 Fatty acid oxidation +FAOXTC122TC101m "CoA[m] + H2O[m] + NAD+[m] + Trans2,6Dodecadienoyl Coenzyme A[m] => acetyl-CoA[m] + H+[m] + NADH[m] + Trans4Decenoyl Coenzyme A[m]" 133.8829867 1.67E-05 Fatty acid oxidation +FAOXTC122m "Trans3,6Dodecadienoyl Coenzyme A[m] => Trans2,6Dodecadienoyl Coenzyme A[m]" 133.8829867 1.67E-05 Fatty acid oxidation +FAOXTC142TC122m "CoA[m] + FAD[m] + H2O[m] + NAD+[m] + Trans5,8Tetradecadienoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + Trans3,6Dodecadienoyl Coenzyme A[m]" 133.8829867 1.67E-05 Fatty acid oxidation +FAOXTC162TC142m "CoA[m] + FAD[m] + H2O[m] + NAD+[m] + Trans7,10-Hexadecadienoyl Coenzyme A[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + Trans5,8Tetradecadienoyl Coenzyme A[m]" 133.8829867 1.67E-05 Fatty acid oxidation +FAOXTC182TC162m "(6Z,9Z)-octadecadienoyl-CoA[m] + CoA[m] + FAD[m] + H2O[m] + NAD+[m] => acetyl-CoA[m] + FADH2[m] + H+[m] + NADH[m] + Trans7,10-Hexadecadienoyl Coenzyme A[m]" 133.8829867 1.67E-05 Fatty acid oxidation +OCD11COACPT1 L-carnitine[c] + 11-Octadecenoyl Coenzyme A[c] <=> CoA[c] + 11-Octadecenoyl Carnitine[c] 690.1146527 1.29E-05 Fatty acid oxidation +OCT11EFATP ATP[c] + cis-vaccenic acid[s] + CoA[c] => AMP[c] + PPi[c] + 11-Octadecenoyl Coenzyme A[c] 690.1146539 2.22E-05 Fatty acid oxidation +SCP21cx ATP[c] + H2O[c] + phytanoyl-CoA[c] => ADP[c] + H+[c] + phytanoyl-CoA[p] + Pi[c] 1000 0.001680189 Transport reactions +STCOATxc ATP[c] + H2O[c] + stearoyl-CoA[c] => ADP[c] + H+[c] + Pi[c] + stearoyl-CoA[p] 133.7135562 3.85E-05 Transport reactions +STRDNCCOAtxc "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + (6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA[p]" 199.9999978 2.10E-05 Transport reactions +LINOFATPtc ATP[c] + CoA[c] + linoleate[s] => AMP[c] + linoleoyl-CoA[c] + PPi[c] 1000 0.000599842 Transport reactions +OLEICFATPtc ATP[c] + CoA[c] + oleate[s] => AMP[c] + oleoyl-CoA[c] + PPi[c] 1000 0.000501336 Transport reactions +PALFATPtc ATP[c] + CoA[c] + palmitate[s] => AMP[c] + palmitoyl-CoA[c] + PPi[c] 1000 0.000597392 Transport reactions +VITEtl alpha-tocopherol[c] + ATP[c] + H2O[c] => ADP[c] + alpha-tocopherol[s] + H+[c] + Pi[c] 999.9999997 0.001681601 Transport reactions +4HPROLTASCT1 alanine[s] + Na+[s] + trans-4-hydroxy-L-proline[c] => alanine[c] + Na+[c] + trans-4-hydroxy-L-proline[s] 690.1146092 0.00153181 Transport reactions +ASPPROASCT1 aspartate[s] + Na+[s] + proline[c] => aspartate[c] + Na+[c] + proline[s] 1000 0.092072974 Transport reactions +DTMPKm ATP[m] + dTMP[m] => ADP[m] + dTDP[m] 1000 0.004661863 Pyrimidine metabolism +FADDPle FAD[s] + H2O[s] => AMP[s] + 2 H+[s] + FMN[s] 999.5350943 0.00016911 Vitamin B2 metabolism +FMNALKPle H2O[s] + FMN[s] => Pi[s] + riboflavin[s] 999.5350943 0.00016908 Transport reactions +G6PDH2c "3 glucose-6-phosphate[c] + 3 NADP+[c] => 3 glucono-1,5-lactone-6-phosphate[c] + 3 H+[c] + 3 NADPH[c]" 1000 0.059048312 Pentose phosphate pathway +GLUPROASCT1 glutamate[s] + Na+[s] + proline[c] => glutamate[c] + Na+[c] + proline[s] 1000 0.446011009 Transport reactions +GNDc 3 6-phospho-D-gluconate[c] + 3 NADP+[c] => 3 CO2[c] + 3 NADPH[c] + 3 ribulose-5-phosphate[c] 820.5777794 0.001979033 Pentose phosphate pathway +PGLc "3 glucono-1,5-lactone-6-phosphate[c] + 3 H2O[c] => 3 6-phospho-D-gluconate[c] + 3 H+[c]" 820.5777794 0.001979038 Pentose phosphate pathway +ARACHDFATPtc arachidonate[s] + ATP[c] + CoA[c] => AMP[c] + arachidonyl-CoA[c] + PPi[c] 1000 0.000854647 Transport reactions +FOLABCCte ATP[c] + folate[c] + H2O[c] => ADP[c] + folate[s] + H+[c] + Pi[c] 1000 0.001681601 Transport reactions +LGNCFATPtc ATP[c] + CoA[c] + lignocerate[s] => AMP[c] + PPi[c] + tetracosanoyl-CoA[c] 1000 0.000566654 Transport reactions +PGLYCABCte ATP[c] + H2O[c] + PG-CL pool[c] => ADP[c] + H+[c] + Pi[c] + PG-CL pool[s] 110.7025932 1.87E-05 Transport reactions +PHEMEABCte ATP[c] + H2O[c] + heme[c] => ADP[c] + H+[c] + heme[s] + Pi[c] 1000 0.001681601 Transport reactions +PSHSABCtc ATP[c] + H2O[c] + PS-LD pool[c] => ADP[c] + H+[c] + Pi[c] + PS-LD pool[s] 111.1900897 2.15E-06 Transport reactions +RIBFLVte ATP[c] + H2O[c] + riboflavin[c] => ADP[c] + H+[c] + Pi[c] + riboflavin[s] 999.9999994 0.001681601 Transport reactions +PCRNte Na+[c] + O-propanoylcarnitine[c] => Na+[s] + O-propanoylcarnitine[s] 333.3333327 4.72E-08 Transport reactions +LNELDCCRNte "(6Z,9Z)-octadecadienoylcarnitine[c] + Na+[c] => Na+[s] + (6Z,9Z)-octadecadienoylcarnitine[s]" 127.5142725 4.67E-08 Transport reactions +ODECRNte Na+[c] + octadecenoylcarnitine(5)[c] => Na+[s] + octadecenoylcarnitine(5)[s] 127.5142725 4.70E-08 Transport reactions +STCRNte Na+[c] + stearoylcarnitine[c] => Na+[s] + stearoylcarnitine[s] 127.5142725 4.71E-08 Transport reactions +PMTCRNte L-palmitoylcarnitine[c] + Na+[c] => Na+[s] + L-palmitoylcarnitine[s] 143.9258214 4.69E-08 Transport reactions +HDCECRNte Na+[c] + palmitoleoyl-carnitine[c] => Na+[s] + palmitoleoyl-carnitine[s] 143.9258214 4.68E-08 Transport reactions +DESAT14_9 H+[c] + myristoyl-CoA[c] + NADH[c] + O2[c] => 2 H2O[c] + NAD+[c] + Tetradecenoyl Coenzyme A (N-C14:1)[c] 172.0459086 1.31E-05 Fatty acid biosynthesis +C03990ATP ATP[c] + H2O[c] + lithocholate[c] => ADP[c] + H+[c] + lithocholate[s] + Pi[c] 1000 0.001681601 Transport reactions +C04483t1 "3alpha,12alpha-dihydroxy-5beta-cholanate[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + 3alpha,12alpha-dihydroxy-5beta-cholanate[s]" 1000 0.001681601 Transport reactions +C05463t1 ATP[c] + H2O[c] + taurodeoxycholate[c] => ADP[c] + H+[c] + Pi[c] + taurodeoxycholate[s] 1000 0.001681601 Transport reactions +CE1273t1 "ATP[c] + H2O[c] + 5beta-cholestane-3alpha,7alpha,12alpha,24s,25-pentol[c] => ADP[c] + H+[c] + Pi[c] + 5beta-cholestane-3alpha,7alpha,12alpha,24s,25-pentol[s]" 1000 0.001681601 Transport reactions +HC02195te ATP[c] + H2O[c] + tauroursodeoxycholate[c] => ADP[c] + H+[c] + Pi[c] + tauroursodeoxycholate[s] 1000 0.001681601 Bile acid biosynthesis +HC02196te ATP[c] + glycoursodeoxycholate[c] + H2O[c] => ADP[c] + glycoursodeoxycholate[s] + H+[c] + Pi[c] 1000 0.001681601 Bile acid biosynthesis +HC02194te ATP[c] + H2O[c] + ursodeoxycholate[c] => ADP[c] + H+[c] + Pi[c] + ursodeoxycholate[s] 1000 0.001681601 Transport reactions +HC02220te ATP[c] + H2O[c] + sulfochenodeoxycholate[c] => ADP[c] + H+[c] + Pi[c] + sulfochenodeoxycholate[s] 1000 0.001681601 Transport reactions +TTDCEAc H2O[c] + Tetradecenoyl Coenzyme A (N-C14:1)[c] => (9E)-tetradecenoic acid[c] + CoA[c] + H+[c] 172.0459086 1.31E-05 Fatty acid oxidation +DHCHOLESTANATEATP "3alpha,7alpha-dihydroxy-5beta-cholestanate[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + 3alpha,7alpha-dihydroxy-5beta-cholestanate[s]" 75.10605549 3.45E-07 Transport reactions +THCHOLSTOICATP "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate[s]" 62.49979123 3.46E-07 Transport reactions +XOL7AH3ATP "5beta-cholestane-3alpha,7alpha,26-triol[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + 5beta-cholestane-3alpha,7alpha,26-triol[s]" 75.10605549 3.45E-07 Transport reactions +XOL7AONEATP 7alpha-hydroxycholest-4-en-3-one[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + 7alpha-hydroxycholest-4-en-3-one[s] 79.19577117 3.46E-07 Transport reactions +XOLDIOLONEATP "7alpha,12alpha-dihydroxycholest-4-en-3-one[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + 7alpha,12alpha-dihydroxycholest-4-en-3-one[s]" 66.114173 3.51E-07 Transport reactions +ACCOAL ATP[c] + CoA[c] + propanoate[c] => ADP[c] + Pi[c] + propanoyl-CoA[c] 1000 0.001655204 Propanoate metabolism +PPNCL3 ATP[c] + cysteine[c] + D-4-phosphopantothenate[c] => (R)-4-phosphopantothenoyl-cysteine[c] + AMP[c] + H+[c] + PPi[c] 8.73E-05 8.73E-05 CoA synthesis +CITL citrate[c] => acetate[c] + OAA[c] 999.9999867 0.029747322 Tricarboxylic acid cycle and glyoxylate/dicarboxylate metabolism +CE2510ABCt ATP[c] + cis-gondoic acid[s] + H2O[c] => ADP[c] + cis-gondoic acid[c] + H+[c] + Pi[c] 1000 0.000721401 Transport reactions +NRVNCABCt ATP[c] + H2O[c] + nervonic acid[s] => ADP[c] + H+[c] + nervonic acid[c] + Pi[c] 1000 0.000721401 Transport reactions +PCHLN225_HSABCt "ATP[c] + H2O[c] + 1-Docosahexenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16, 19), Sn1-Lpc (22:6)[c] => ADP[c] + H+[c] + Pi[c] + 1-Docosahexenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16, 19), Sn1-Lpc (22:6)[s]" 1000 0.001632452 Transport reactions +PCHOL2LINL_HSABCt ATP[c] + H2O[c] + 2-Linoleoylglycerophosphocholine[c] => ADP[c] + H+[c] + Pi[c] + 2-Linoleoylglycerophosphocholine[s] 1000 0.001632452 Transport reactions +PCHOL2OLE_HSABCt ATP[c] + H2O[c] + 2-Oleoylglycerophosphocholine[c] => ADP[c] + H+[c] + Pi[c] + 2-Oleoylglycerophosphocholine[s] 1000 0.001632452 Transport reactions +PCHOL2STE_HSABCt ATP[c] + H2O[c] + 2-Stearoylglycerophosphocholine[c] => ADP[c] + H+[c] + Pi[c] + 2-Stearoylglycerophosphocholine[s] 1000 0.001632452 Transport reactions +PCHOLAR_HSABCt ATP[c] + H2O[c] + 1-Arachidonoyl-Glycero-3-Phosphocholine[c] => ADP[c] + H+[c] + Pi[c] + 1-Arachidonoyl-Glycero-3-Phosphocholine[s] 1000 0.001632452 Transport reactions +PCHOLDOC_HSABCt ATP[c] + H2O[c] + 1-Docosahexaenoylglycerophosphocholine[c] => ADP[c] + H+[c] + Pi[c] + 1-Docosahexaenoylglycerophosphocholine[s] 1000 0.001632452 Transport reactions +PCHOLEIC_HSABCt "ATP[c] + H2O[c] + 1-Eicosadienoylglycerophosphocholine (Delta 11,14)[c] => ADP[c] + H+[c] + Pi[c] + 1-Eicosadienoylglycerophosphocholine (Delta 11,14)[s]" 1000 0.001632452 Transport reactions +PCHOLET_HSABCt "ATP[c] + H2O[c] + 1-Eicosatrienoylglycerophosphocholine (Delta 11, 14, 17)[c] => ADP[c] + H+[c] + Pi[c] + 1-Eicosatrienoylglycerophosphocholine (Delta 11, 14, 17)[s]" 1000 0.001632452 Transport reactions +PCHOLHEP_HSABCt ATP[c] + H2O[c] + 1-Heptadecanoylglycerophosphocholine[c] => ADP[c] + H+[c] + Pi[c] + 1-Heptadecanoylglycerophosphocholine[s] 1000 0.001632452 Transport reactions +PCHOLLINL_HSABCt "ATP[c] + H2O[c] + 1-Linoleoylglycerophosphocholine (Delta 9,12)[c] => ADP[c] + H+[c] + Pi[c] + 1-Linoleoylglycerophosphocholine (Delta 9,12)[s]" 1000 0.001632452 Transport reactions +PCHOLMYR_HsABCt ATP[c] + H2O[c] + 1-Myristoylglycerophosphocholine[c] => ADP[c] + H+[c] + Pi[c] + 1-Myristoylglycerophosphocholine[s] 1000 0.001632452 Transport reactions +PCHOLN15_HSABCt "ATP[c] + H2O[c] + 1-Pentadecanoylglycerophosphocholine, Sn1-Lpc (15:0)[c] => ADP[c] + H+[c] + Pi[c] + 1-Pentadecanoylglycerophosphocholine, Sn1-Lpc (15:0)[s]" 1000 0.001632452 Transport reactions +PCHOLN183_HSABCt "ATP[c] + H2O[c] + 1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 9, 12, 15)[c] => ADP[c] + H+[c] + Pi[c] + 1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 9, 12, 15)[s]" 1000 0.001632452 Transport reactions +PCHOLN1836_HSABCt "ATP[c] + H2O[c] + 1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 6, 9, 12)[c] => ADP[c] + H+[c] + Pi[c] + 1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 6, 9, 12)[s]" 1000 0.001632452 Transport reactions +PCHOLN19_HSABCt "ATP[c] + H2O[c] + 1-Nonadecanoylglycerophosphocholine, Sn1-Lpc (19:0)[c] => ADP[c] + H+[c] + Pi[c] + 1-Nonadecanoylglycerophosphocholine, Sn1-Lpc (19:0)[s]" 1000 0.001632452 Transport reactions +PCHOLN201_HSABCt "ATP[c] + H2O[c] + 1-Eicosenoylglycerophosphocholine (Delta 11) ,Sn1-Lpc (20:1)[c] => ADP[c] + H+[c] + Pi[c] + 1-Eicosenoylglycerophosphocholine (Delta 11) ,Sn1-Lpc (20:1)[s]" 1000 0.001632452 Transport reactions +PCHOLN203_HSABCt "ATP[c] + H2O[c] + 1-Dihomo-Linolenoylglycerophosphocholine (20:3, Delta 8, 11, 14), Lysopc A C20:3[c] => ADP[c] + H+[c] + Pi[c] + 1-Dihomo-Linolenoylglycerophosphocholine (20:3, Delta 8, 11, 14), Lysopc A C20:3[s]" 1000 0.001632452 Transport reactions +PCHOLN204_HSABCt "ATP[c] + H2O[c] + 1-Eicosatetraenoylglycerophosphocholine (Delta 8, 11, 14, 17), Sn1-Lpc (20:4)[c] => ADP[c] + H+[c] + Pi[c] + 1-Eicosatetraenoylglycerophosphocholine (Delta 8, 11, 14, 17), Sn1-Lpc (20:4)[s]" 1000 0.001632452 Transport reactions +PCHOLN205_HSABCt "ATP[c] + H2O[c] + 1-Eicosapentenoylglycerophosphocholine (Delta 5, 8, 11, 14, 17), Sn1-Lpc (20:5)[c] => ADP[c] + H+[c] + Pi[c] + 1-Eicosapentenoylglycerophosphocholine (Delta 5, 8, 11, 14, 17), Sn1-Lpc (20:5)[s]" 1000 0.001632452 Transport reactions +PCHOLN224_HSABCt "ATP[c] + H2O[c] + 1-Docosatetraenoylglycerophosphocholine (Delta 7, 10, 13, 16), Sn1-Lpc (22:4)[c] => ADP[c] + H+[c] + Pi[c] + 1-Docosatetraenoylglycerophosphocholine (Delta 7, 10, 13, 16), Sn1-Lpc (22:4)[s]" 1000 0.001632452 Transport reactions +PCHOLN225_HSABCt "ATP[c] + H2O[c] + 1-Docosapentenoylglycerophosphocholine (Delta 7, 10, 13, 16, 19), Sn1-Lpc (22:5)-W3[c] => ADP[c] + H+[c] + Pi[c] + 1-Docosapentenoylglycerophosphocholine (Delta 7, 10, 13, 16, 19), Sn1-Lpc (22:5)-W3[s]" 1000 0.001632452 Transport reactions +PCHOLN2254_HSABCt "ATP[c] + H2O[c] + 1-Docosapentenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16), Sn1-Lpc (22:5)-W6[c] => ADP[c] + H+[c] + Pi[c] + 1-Docosapentenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16), Sn1-Lpc (22:5)-W6[s]" 1000 0.001632452 Transport reactions +PCHOLN264_HSABCt "ATP[c] + H2O[c] + 1-Lignocericylglycerophosphocholine (24:0), Lysopc A C24[c] => ADP[c] + H+[c] + Pi[c] + 1-Lignocericylglycerophosphocholine (24:0), Lysopc A C24[s]" 1000 0.001632452 Transport reactions +PCHOLOLE_HSABCt ATP[c] + H2O[c] + 1-Oleoylglycerophosphocholine (Delta 9)[c] => ADP[c] + H+[c] + Pi[c] + 1-Oleoylglycerophosphocholine (Delta 9)[s] 1000 0.001632452 Transport reactions +PCHOLPALME-HSABCt ATP[c] + H2O[c] + 1-Palmitoleoylglycerophosphocholine (Delta 9)[c] => ADP[c] + H+[c] + Pi[c] + 1-Palmitoleoylglycerophosphocholine (Delta 9)[s] 1000 0.001632452 Transport reactions +PCHOLSTE_HSABCt ATP[c] + H2O[c] + 1-Stearoylglycerophosphocholine[c] => ADP[c] + H+[c] + Pi[c] + 1-Stearoylglycerophosphocholine[s] 1000 0.001632452 Transport reactions +PE12_HSABCt ATP[c] + H2O[c] + 1-Didecanoylglycerophosphoethanolamine (C12:0 Pe)[c] => ADP[c] + H+[c] + Pi[c] + 1-Didecanoylglycerophosphoethanolamine (C12:0 Pe)[s] 1000 0.001635221 Transport reactions +Pe13_HSABCt ATP[c] + H2O[c] + 1-Tridecanoylglycerophosphoethanolamine (C13:0 Pe)[c] => ADP[c] + H+[c] + Pi[c] + 1-Tridecanoylglycerophosphoethanolamine (C13:0 Pe)[s] 1000 0.001635221 Transport reactions +PE14_HSABCt ATP[c] + H2O[c] + 1-Myristoylglycerophosphoethanolamine (C14:0 Pe)[c] => ADP[c] + H+[c] + Pi[c] + 1-Myristoylglycerophosphoethanolamine (C14:0 Pe)[s] 1000 0.001635221 Transport reactions +PE15_HSABCt ATP[c] + H2O[c] + 1-Pentadecanoylglycerophosphoethanolamine (C15:0 Pe)[c] => ADP[c] + H+[c] + Pi[c] + 1-Pentadecanoylglycerophosphoethanolamine (C15:0 Pe)[s] 1000 0.001635221 Transport reactions +PE161_HSABCt "ATP[c] + H2O[c] + 1-Hexadecenoylglycerophosphoethanolamine (C16:1 Pe, Delta 9)[c] => ADP[c] + H+[c] + Pi[c] + 1-Hexadecenoylglycerophosphoethanolamine (C16:1 Pe, Delta 9)[s]" 1000 0.001635221 Transport reactions +PE17_HSABCt ATP[c] + H2O[c] + 1-Heptadecanoylglycerophosphoethanolamine (C17:0 Pe)[c] => ADP[c] + H+[c] + Pi[c] + 1-Heptadecanoylglycerophosphoethanolamine (C17:0 Pe)[s] 1000 0.001635221 Transport reactions +PE203_HSABCt "ATP[c] + H2O[c] + 1-Eicosatrienoylglycerophosphoethanolamine (Delta 11, 14, 17), Lpe (20:3)[c] => ADP[c] + H+[c] + Pi[c] + 1-Eicosatrienoylglycerophosphoethanolamine (Delta 11, 14, 17), Lpe (20:3)[s]" 1000 0.001635221 Transport reactions +PE226_HSABCt "ATP[c] + H2O[c] + 1-Docosahexenoylglyceroethanolamine (Delta 4, 7, 10, 13, 16, 19), Lpe (22:6)[c] => ADP[c] + H+[c] + Pi[c] + 1-Docosahexenoylglyceroethanolamine (Delta 4, 7, 10, 13, 16, 19), Lpe (22:6)[s]" 1000 0.001635221 Transport reactions +PE2LINL_HSABCt ATP[c] + H2O[c] + 2-Linoleoylglycerophosphoethanolamine[c] => ADP[c] + H+[c] + Pi[c] + 2-Linoleoylglycerophosphoethanolamine[s] 1000 0.001635221 Transport reactions +PEAR_HSABCt ATP[c] + H2O[c] + 1-Arachidonoyl-Sn-Glycero-3-Phosphoethanolamine[c] => ADP[c] + H+[c] + Pi[c] + 1-Arachidonoyl-Sn-Glycero-3-Phosphoethanolamine[s] 1000 0.001635221 Transport reactions +PEDH203_HSABCt "ATP[c] + H2O[c] + 1-Dihomo-Linolenoylglycerophosphoethanolamine (20:3, Delta 8, 11, 14)[c] => ADP[c] + H+[c] + Pi[c] + 1-Dihomo-Linolenoylglycerophosphoethanolamine (20:3, Delta 8, 11, 14)[s]" 1000 0.001635221 Transport reactions +PELINL_HSABCt "ATP[c] + H2O[c] + 1-Linoleoylglycerophosphoethanolamine (Delta 9,12)[c] => ADP[c] + H+[c] + Pi[c] + 1-Linoleoylglycerophosphoethanolamine (Delta 9,12)[s]" 1000 0.001635221 Transport reactions +PELPALM_HSABCt ATP[c] + H2O[c] + 1-Palmitoylglycerophosphoethanolamine[c] => ADP[c] + H+[c] + Pi[c] + 1-Palmitoylglycerophosphoethanolamine[s] 1000 0.001635221 Transport reactions +PEOLE_HSABCt ATP[c] + H2O[c] + 1-Oleoylglycerophosphoethanolamine (Delta 9)[c] => ADP[c] + H+[c] + Pi[c] + 1-Oleoylglycerophosphoethanolamine (Delta 9)[s] 1000 0.001635221 Transport reactions +PEPALM_HSASBCt ATP[c] + H2O[c] + 1-Palmitoylglycerophosphocholine[c] => ADP[c] + H+[c] + Pi[c] + 1-Palmitoylglycerophosphocholine[s] 1000 0.001632452 Transport reactions +PESTE_HSABCt ATP[c] + H2O[c] + 1-Stearoylglycerophosphoethanolamine[c] => ADP[c] + H+[c] + Pi[c] + 1-Stearoylglycerophosphoethanolamine[s] 1000 0.001635221 Transport reactions +DIGALSGALSIDEATPte ATP[c] + digalactosylceramidesulfate[c] + H2O[c] => ADP[c] + digalactosylceramidesulfate[s] + H+[c] + Pi[c] 1000 0.001681601 Transport reactions +PCHOL2LINL_HSt1e 2-Linoleoylglycerophosphocholine[s] => 2-Linoleoylglycerophosphocholine[c] 1000 0.001632452 Transport reactions +PCHOL2OLE_HSt1e 2-Oleoylglycerophosphocholine[s] => 2-Oleoylglycerophosphocholine[c] 1000 0.001632452 Transport reactions +PCHOL2STE_HSt1e 2-Stearoylglycerophosphocholine[s] => 2-Stearoylglycerophosphocholine[c] 1000 0.001632452 Transport reactions +PCHOLAR_HSt1e 1-Arachidonoyl-Glycero-3-Phosphocholine[s] => 1-Arachidonoyl-Glycero-3-Phosphocholine[c] 1000 0.001632452 Transport reactions +PCHOLDOC_HSt1e 1-Docosahexaenoylglycerophosphocholine[s] => 1-Docosahexaenoylglycerophosphocholine[c] 1000 0.001632452 Transport reactions +PCHOLEIC_HSt1e "1-Eicosadienoylglycerophosphocholine (Delta 11,14)[s] => 1-Eicosadienoylglycerophosphocholine (Delta 11,14)[c]" 1000 0.001632452 Transport reactions +PCHOLET_HSt1e "1-Eicosatrienoylglycerophosphocholine (Delta 11, 14, 17)[s] => 1-Eicosatrienoylglycerophosphocholine (Delta 11, 14, 17)[c]" 1000 0.001632452 Transport reactions +PCHOLHEP_HSt1e 1-Heptadecanoylglycerophosphocholine[s] => 1-Heptadecanoylglycerophosphocholine[c] 1000 0.001632452 Transport reactions +PCHOLLINL_HSt1e "1-Linoleoylglycerophosphocholine (Delta 9,12)[s] => 1-Linoleoylglycerophosphocholine (Delta 9,12)[c]" 1000 0.001632452 Transport reactions +PCHOLMYR_Hst1e 1-Myristoylglycerophosphocholine[s] => 1-Myristoylglycerophosphocholine[c] 1000 0.001632452 Transport reactions +PCHOLN15_HSt1e "1-Pentadecanoylglycerophosphocholine, Sn1-Lpc (15:0)[s] => 1-Pentadecanoylglycerophosphocholine, Sn1-Lpc (15:0)[c]" 1000 0.001632452 Transport reactions +PCHOLN183_HSt1e "1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 9, 12, 15)[s] => 1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 9, 12, 15)[c]" 1000 0.001632452 Transport reactions +PCHOLN1836_HSt1e "1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 6, 9, 12)[s] => 1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 6, 9, 12)[c]" 1000 0.001632452 Transport reactions +PCHOLN19_HSt1e "1-Nonadecanoylglycerophosphocholine, Sn1-Lpc (19:0)[s] => 1-Nonadecanoylglycerophosphocholine, Sn1-Lpc (19:0)[c]" 1000 0.001632452 Transport reactions +PCHOLN201_HSt1e "1-Eicosenoylglycerophosphocholine (Delta 11) ,Sn1-Lpc (20:1)[s] => 1-Eicosenoylglycerophosphocholine (Delta 11) ,Sn1-Lpc (20:1)[c]" 1000 0.001632452 Transport reactions +PCHOLN203_HSt1e "1-Dihomo-Linolenoylglycerophosphocholine (20:3, Delta 8, 11, 14), Lysopc A C20:3[s] => 1-Dihomo-Linolenoylglycerophosphocholine (20:3, Delta 8, 11, 14), Lysopc A C20:3[c]" 1000 0.001632452 Transport reactions +PCHOLN204_HSt1e "1-Eicosatetraenoylglycerophosphocholine (Delta 8, 11, 14, 17), Sn1-Lpc (20:4)[s] => 1-Eicosatetraenoylglycerophosphocholine (Delta 8, 11, 14, 17), Sn1-Lpc (20:4)[c]" 1000 0.001632452 Transport reactions +PCHOLN205_HSt1e "1-Eicosapentenoylglycerophosphocholine (Delta 5, 8, 11, 14, 17), Sn1-Lpc (20:5)[s] => 1-Eicosapentenoylglycerophosphocholine (Delta 5, 8, 11, 14, 17), Sn1-Lpc (20:5)[c]" 1000 0.001632452 Transport reactions +PCHOLN224_HSt1e "1-Docosatetraenoylglycerophosphocholine (Delta 7, 10, 13, 16), Sn1-Lpc (22:4)[s] => 1-Docosatetraenoylglycerophosphocholine (Delta 7, 10, 13, 16), Sn1-Lpc (22:4)[c]" 1000 0.001632452 Transport reactions +PCHOLN225_HSt1e "1-Docosapentenoylglycerophosphocholine (Delta 7, 10, 13, 16, 19), Sn1-Lpc (22:5)-W3[s] => 1-Docosapentenoylglycerophosphocholine (Delta 7, 10, 13, 16, 19), Sn1-Lpc (22:5)-W3[c]" 1000 0.001632452 Transport reactions +PCHOLN2254_HSt1e "1-Docosapentenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16), Sn1-Lpc (22:5)-W6[s] => 1-Docosapentenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16), Sn1-Lpc (22:5)-W6[c]" 1000 0.001632452 Transport reactions +PCHLN225_HSt1e "1-Docosahexenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16, 19), Sn1-Lpc (22:6)[s] => 1-Docosahexenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16, 19), Sn1-Lpc (22:6)[c]" 1000 0.001632452 Transport reactions +PCHOLN264_HSt1e "1-Lignocericylglycerophosphocholine (24:0), Lysopc A C24[s] => 1-Lignocericylglycerophosphocholine (24:0), Lysopc A C24[c]" 1000 0.001632452 Transport reactions +PCHOLOLE_HSt1e 1-Oleoylglycerophosphocholine (Delta 9)[s] => 1-Oleoylglycerophosphocholine (Delta 9)[c] 1000 0.001632452 Transport reactions +PEPALM_HSt1e 1-Palmitoylglycerophosphocholine[s] => 1-Palmitoylglycerophosphocholine[c] 1000 0.001632452 Transport reactions +PCHOLPALME-HSt1e 1-Palmitoleoylglycerophosphocholine (Delta 9)[s] => 1-Palmitoleoylglycerophosphocholine (Delta 9)[c] 1000 0.001632452 Transport reactions +PCHOLSTE_HSt1e 1-Stearoylglycerophosphocholine[s] => 1-Stearoylglycerophosphocholine[c] 1000 0.001632452 Transport reactions +PE12_HSt1e 1-Didecanoylglycerophosphoethanolamine (C12:0 Pe)[s] => 1-Didecanoylglycerophosphoethanolamine (C12:0 Pe)[c] 1000 0.001635221 Transport reactions +Pe13_HSt1e 1-Tridecanoylglycerophosphoethanolamine (C13:0 Pe)[s] => 1-Tridecanoylglycerophosphoethanolamine (C13:0 Pe)[c] 1000 0.001635221 Transport reactions +PE14_HSt1e 1-Myristoylglycerophosphoethanolamine (C14:0 Pe)[s] => 1-Myristoylglycerophosphoethanolamine (C14:0 Pe)[c] 1000 0.001635221 Transport reactions +PE15_HSt1e 1-Pentadecanoylglycerophosphoethanolamine (C15:0 Pe)[s] => 1-Pentadecanoylglycerophosphoethanolamine (C15:0 Pe)[c] 1000 0.001635221 Transport reactions +PE161_HSt1e "1-Hexadecenoylglycerophosphoethanolamine (C16:1 Pe, Delta 9)[s] => 1-Hexadecenoylglycerophosphoethanolamine (C16:1 Pe, Delta 9)[c]" 1000 0.001635221 Transport reactions +PE17_HSt1e 1-Heptadecanoylglycerophosphoethanolamine (C17:0 Pe)[s] => 1-Heptadecanoylglycerophosphoethanolamine (C17:0 Pe)[c] 1000 0.001635221 Transport reactions +PE203_HSt1e "1-Eicosatrienoylglycerophosphoethanolamine (Delta 11, 14, 17), Lpe (20:3)[s] => 1-Eicosatrienoylglycerophosphoethanolamine (Delta 11, 14, 17), Lpe (20:3)[c]" 1000 0.001635221 Transport reactions +PE226_HSt1e "1-Docosahexenoylglyceroethanolamine (Delta 4, 7, 10, 13, 16, 19), Lpe (22:6)[s] => 1-Docosahexenoylglyceroethanolamine (Delta 4, 7, 10, 13, 16, 19), Lpe (22:6)[c]" 1000 0.001635221 Transport reactions +PE2LINL_HSt1e 2-Linoleoylglycerophosphoethanolamine[s] => 2-Linoleoylglycerophosphoethanolamine[c] 1000 0.001635221 Transport reactions +PEAR_HSt1e 1-Arachidonoyl-Sn-Glycero-3-Phosphoethanolamine[s] => 1-Arachidonoyl-Sn-Glycero-3-Phosphoethanolamine[c] 1000 0.001635221 Transport reactions +PEDH203_HSt1e "1-Dihomo-Linolenoylglycerophosphoethanolamine (20:3, Delta 8, 11, 14)[s] => 1-Dihomo-Linolenoylglycerophosphoethanolamine (20:3, Delta 8, 11, 14)[c]" 1000 0.001635221 Transport reactions +PELINL_HSt1e "1-Linoleoylglycerophosphoethanolamine (Delta 9,12)[s] => 1-Linoleoylglycerophosphoethanolamine (Delta 9,12)[c]" 1000 0.001635221 Transport reactions +PEOLE_HSt1e 1-Oleoylglycerophosphoethanolamine (Delta 9)[s] => 1-Oleoylglycerophosphoethanolamine (Delta 9)[c] 1000 0.001635221 Transport reactions +PELPALM_HSt1e 1-Palmitoylglycerophosphoethanolamine[s] => 1-Palmitoylglycerophosphoethanolamine[c] 1000 0.001635221 Transport reactions +PESTE_HSt1e 1-Stearoylglycerophosphoethanolamine[s] => 1-Stearoylglycerophosphoethanolamine[c] 1000 0.001635221 Transport reactions +SPHMYLN_HsATPte ATP[c] + H2O[c] + SM pool[c] => ADP[c] + H+[c] + Pi[c] + SM pool[s] 90.47139909 1.71E-05 Transport reactions +SPHMYLN180241_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:0/24:1), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:0/24:1), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN180241_hs_t1 "Sm (D18:0/24:1), Sphingomyelin[s] => Sm (D18:0/24:1), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN18114_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/14:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/14:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN18114_hs_t1 "Sm (D18:1/14:0), Sphingomyelin[s] => Sm (D18:1/14:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN18115_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/15:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/15:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN18115_hs_t1 "Sm (D18:1/15:0), Sphingomyelin[s] => Sm (D18:1/15:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN18116_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/16:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/16:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN18116_hs_t1 "Sm (D18:1/16:0), Sphingomyelin[s] => Sm (D18:1/16:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN181161_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/16:1), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/16:1), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN181161_hs_t1 "Sm (D18:1/16:1), Sphingomyelin[s] => Sm (D18:1/16:1), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN18117_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/17:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/17:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN18117_hs_t1 "Sm (D18:1/17:0), Sphingomyelin[s] => Sm (D18:1/17:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN18118_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/18:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/18:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN18118_hs_t1 "Sm (D18:1/18:0), Sphingomyelin[s] => Sm (D18:1/18:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN181181_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/18:1), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/18:1), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN181181_hs_t1 "Sm (D18:1/18:1), Sphingomyelin[s] => Sm (D18:1/18:1), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN18120_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/20:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/20:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN18120_hs_t1 "Sm (D18:1/20:0), Sphingomyelin[s] => Sm (D18:1/20:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN181201_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/20:1), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/20:1), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN181201_hs_t1 "Sm (D18:1/20:1), Sphingomyelin[s] => Sm (D18:1/20:1), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN18121_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/21:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/21:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN18121_hs_t1 "Sm (D18:1/21:0), Sphingomyelin[s] => Sm (D18:1/21:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN18122_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/22:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/22:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN18122_hs_t1 "Sm (D18:1/22:0), Sphingomyelin[s] => Sm (D18:1/22:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN181221_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/22:1), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/22:1), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN181221_hs_t1 "Sm (D18:1/22:1), Sphingomyelin[s] => Sm (D18:1/22:1), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN18123_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:1/23:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:1/23:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN18123_hs_t1 "Sm (D18:1/23:0), Sphingomyelin[s] => Sm (D18:1/23:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN1824_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:0/24:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:0/24:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN1824_hs_t1 "Sm (D18:0/24:0), Sphingomyelin[s] => Sm (D18:0/24:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +SPHMYLN1825_hs_ATPt "ATP[c] + H2O[c] + Sm (D18:0/25:0), Sphingomyelin[c] => ADP[c] + H+[c] + Pi[c] + Sm (D18:0/25:0), Sphingomyelin[s]" 1000 0.001681601 Transport reactions +SPHMYLN1825_hs_t1 "Sm (D18:0/25:0), Sphingomyelin[s] => Sm (D18:0/25:0), Sphingomyelin[c]" 1000 0.001681601 Transport reactions +PPP9ABCte ATP[c] + H2O[c] + protoporphyrin[c] => ADP[c] + H+[c] + Pi[c] + protoporphyrin[s] 20.83333302 7.18E-06 Transport reactions +MLTHFte "H+[s] + 5,10-methylene-THF[s] => 5,10-methylene-THF[c] + H+[c]" 1000 0 Transport reactions +CE7090te (18R)-HEPE[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + (18R)-HEPE[s] 333.3320181 2.06E-05 Transport reactions +CE7085te 5(S)-HEPE[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + 5(S)-HEPE[s] 333.3320181 4.75E-06 Transport reactions +CE1447te 11-dehydro-thromboxane B2[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + 11-dehydro-thromboxane B2[s] 285.7133316 3.24E-05 Transport reactions +C05769te3 coproporphyrin I[s] + HCO3-[c] => coproporphyrin I[c] + HCO3-[s] 1000 0.001681601 Transport reactions +C05770te4 coproporphyrin III[s] + HCO3-[c] => coproporphyrin III[c] + HCO3-[s] 1000 0.001681601 Transport reactions +SPHS1Pt2e ATP[c] + H2O[c] + sphingosine-1-phosphate[c] => ADP[c] + H+[c] + Pi[c] + sphingosine-1-phosphate[s] 149.4964389 2.02E-05 Transport reactions +PTRCARGte arginine[s] + putrescine[c] => arginine[c] + putrescine[s] 1000 0.087063277 Transport reactions +MLTHFte1 "5,10-methylene-THF[c] + ATP[c] + H2O[c] => ADP[c] + H+[c] + Pi[c] + 5,10-methylene-THF[s]" 1000 0.001681601 Transport reactions +LACROX "leukoaminochrome[c] + O2[c] => H2O2[c] + 2,3-Dihydro-1H-Indole-5,6-Dione[c]" 1000 1.789605648 Tyrosine metabolism +NADPQNOXR "H+[c] + NADPH[c] + 2,3-Dihydro-1H-Indole-5,6-Dione[c] => leukoaminochrome[c] + NADP+[c]" 1000 0.141865223 Tyrosine metabolism +NADQNOXR "H+[c] + NADH[c] + 2,3-Dihydro-1H-Indole-5,6-Dione[c] => leukoaminochrome[c] + NAD+[c]" 1000 1.789605648 Tyrosine metabolism +GBA2e glucosylceramide pool[s] + H2O[s] => glucose[s] + ceramide pool[s] 91.12445786 3.12E-06 Sphingolipid metabolism +SMS21e "PC-LD pool[s] + ceramide pool[s] => SM pool[s] + 1,2-diacylglycerol-LD-PC pool[s]" 50.08290256 1.27E-06 Sphingolipid metabolism +RE3477C1 NAD+[c] + Thromboxane B2[c] => 11-dehydro-thromboxane B2[c] + H+[c] + NADH[c] 285.7133316 3.24E-05 Eicosanoid metabolism +12DHCHOLabc "ATP[c] + H2O[c] + 12-Dehydrocholic acid; 12-Oxodeoxycholic acid; 12oxo-3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid[c] => ADP[c] + H+[c] + Pi[c] + 12-Dehydrocholic acid; 12-Oxodeoxycholic acid; 12oxo-3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid[s]" 1000 0.001681601 Transport reactions +3DHCDCHOLabc ATP[c] + H2O[c] + 3-Dehydrochenodeoxychollyc acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid[c] => ADP[c] + H+[c] + Pi[c] + 3-Dehydrochenodeoxychollyc acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid[s] 1000 0.001681601 Transport reactions +3DHCHOLabc "ATP[c] + H2O[c] + 3-Dehydrocholic acid; 3oxo-7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid[c] => ADP[c] + H+[c] + Pi[c] + 3-Dehydrocholic acid; 3oxo-7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid[s]" 1000 0.001681601 Transport reactions +3DHDCAabc ATP[c] + H2O[c] + 3-dehydro-Deoxycholate[c] => ADP[c] + H+[c] + Pi[c] + 3-dehydro-Deoxycholate[s] 1000 0.001681601 Transport reactions +3DHLCAabc ATP[c] + H2O[c] + 3-dehydro-Lithocholate[c] => ADP[c] + H+[c] + Pi[c] + 3-dehydro-Lithocholate[s] 1000 0.001681601 Transport reactions +7DHCDCHOLabc ATP[c] + H2O[c] + 7-Dehydrochenodeoxycholic acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid[c] => ADP[c] + H+[c] + Pi[c] + 7-Dehydrochenodeoxycholic acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid[s] 1000 0.001681601 Transport reactions +7DHCHOLabc "ATP[c] + H2O[c] + 7-Dehydrocholic acid; 7-Oxodeoxycholic acid; 7oxo-3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid[c] => ADP[c] + H+[c] + Pi[c] + 7-Dehydrocholic acid; 7-Oxodeoxycholic acid; 7oxo-3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid[s]" 1000 0.001681601 Transport reactions +HC02220t HCO3-[c] + sulfochenodeoxycholate[s] <=> HCO3-[s] + sulfochenodeoxycholate[c] 1000 0.000105678 Transport reactions +COPROSTabc ATP[c] + H2O[c] + Coprostanol[c] => ADP[c] + H+[c] + Pi[c] + Coprostanol[s] 1000 0.001681601 Transport reactions +GCA3Sabc ATP[c] + H2O[c] + Glycocholic acid 3-sulfate[c] => ADP[c] + H+[c] + Pi[c] + Glycocholic acid 3-sulfate[s] 1000 0.001681601 Transport reactions +GCDCA3Sabc ATP[c] + H2O[c] + Glycochenodeoxycholic acid 3-sulfate[c] => ADP[c] + H+[c] + Pi[c] + Glycochenodeoxycholic acid 3-sulfate[s] 1000 0.001681601 Transport reactions +GDCA3Sabc ATP[c] + H2O[c] + Glycodeoxycholic acid 3-sulfate[c] => ADP[c] + H+[c] + Pi[c] + Glycodeoxycholic acid 3-sulfate[s] 1000 0.001681601 Transport reactions +GUDCA3Sabc ATP[c] + H2O[c] + Glycoursodeoxycholic acid 3-sulfate[c] => ADP[c] + H+[c] + Pi[c] + Glycoursodeoxycholic acid 3-sulfate[s] 1000 0.001681601 Transport reactions +ICDCHOLabc "ATP[c] + H2O[c] + Isochenodeoxycholic acid; 3beta,7alpha-Dihydroxy-5beta-cholanic acid[c] => ADP[c] + H+[c] + Pi[c] + Isochenodeoxycholic acid; 3beta,7alpha-Dihydroxy-5beta-cholanic acid[s]" 1000 0.001681601 Transport reactions +ISOCHOLabc "ATP[c] + H2O[c] + Isochenodeoxycholic acid; 3beta,7alpha,12alpha-Trihydroxy-5beta-cholanic acid[c] => ADP[c] + H+[c] + Pi[c] + Isochenodeoxycholic acid; 3beta,7alpha,12alpha-Trihydroxy-5beta-cholanic acid[s]" 1000 0.001681601 Transport reactions +LCA3Sabc ATP[c] + H2O[c] + Lithocholic acid 3-sulfate[c] => ADP[c] + H+[c] + Pi[c] + Lithocholic acid 3-sulfate[s] 1000 0.001681601 Transport reactions +TCA3Sabc ATP[c] + H2O[c] + Taurocholic acid 3-sulfate[c] => ADP[c] + H+[c] + Pi[c] + Taurocholic acid 3-sulfate[s] 1000 0.001681601 Transport reactions +TCDCA3Sabc ATP[c] + H2O[c] + Taurochenodeoxycholic acid 3-sulfate[c] => ADP[c] + H+[c] + Pi[c] + Taurochenodeoxycholic acid 3-sulfate[s] 1000 0.001681601 Transport reactions +TDCA3Sabc ATP[c] + H2O[c] + Taurodeoxycholic acid 3-sulfate[c] => ADP[c] + H+[c] + Pi[c] + Taurodeoxycholic acid 3-sulfate[s] 1000 0.001681601 Transport reactions +THYOCHOLabc "ATP[c] + H2O[c] + Taurohyocholic acid; N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine[c] => ADP[c] + H+[c] + Pi[c] + Taurohyocholic acid; N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine[s]" 1000 0.001681601 Transport reactions +TUDCA3Sabc ATP[c] + H2O[c] + Tauroursodeoxycholic acid 3-sulfate[c] => ADP[c] + H+[c] + Pi[c] + Tauroursodeoxycholic acid 3-sulfate[s] 1000 0.001681601 Transport reactions +UCHOLabc "ATP[c] + H2O[c] + Ursocholic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid; 7beta-Hydroxyisocholic acid; 7-Epicholic acid[c] => ADP[c] + H+[c] + Pi[c] + Ursocholic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid; 7beta-Hydroxyisocholic acid; 7-Epicholic acid[s]" 1000 0.001681601 Transport reactions +2HATVLAChc ATP[c] + 2-hydroxy-atorvastatin-acid / ortho-hydroxy-atorvastatin acid[c] => AMP[c] + PPi[c] + 2-hydroxy-atorvastatin-lactone / ortho-hydroxy-atorvastatin lactone[c] 1000 0.00083441 Drug metabolism +2HATVACIDhc H2O[c] + 2-hydroxy-atorvastatin-lactone / ortho-hydroxy-atorvastatin lactone[c] => H+[c] + 2-hydroxy-atorvastatin-acid / ortho-hydroxy-atorvastatin acid[c] 1000 0.00083441 Drug metabolism +3HPVSTETteb ATP[c] + H2O[c] + 3'-S-hydroxy-pravastatin-tetranor[c] => ADP[c] + H+[c] + Pi[c] + 3'-S-hydroxy-pravastatin-tetranor[s] 1000 0.001681601 Drug metabolism +3HPVSteb ATP[c] + H2O[c] + 3'-S-hydroxy-pravastatin[c] => ADP[c] + H+[c] + Pi[c] + 3'-S-hydroxy-pravastatin[s] 1000 0.001681601 Drug metabolism +3ISPVSteb ATP[c] + H2O[c] + 3-alpha-iso-pravastatin[c] => ADP[c] + H+[c] + Pi[c] + 3-alpha-iso-pravastatin[s] 1000 0.001681601 Drug metabolism +4HATVACIDhc H2O[c] + 4-hydroxy-atorvastatin-lactone / para-hydroxy-atorvastatin lactone[c] => H+[c] + 4-hydroxy-atorvastatin-acid / para-hydroxy-atorvastatin acid[c] 1000 0.00083441 Drug metabolism +4HATVLAChc ATP[c] + 4-hydroxy-atorvastatin-acid / para-hydroxy-atorvastatin acid[c] => AMP[c] + PPi[c] + 4-hydroxy-atorvastatin-lactone / para-hydroxy-atorvastatin lactone[c] 1000 0.00083441 Drug metabolism +56DHPVSteb "ATP[c] + H2O[c] + 3-keto-5,6,-dihydroxy-pravastatin[c] => ADP[c] + H+[c] + Pi[c] + 3-keto-5,6,-dihydroxy-pravastatin[s]" 1000 0.001681601 Drug metabolism +56EPPVSteb "ATP[c] + H2O[c] + 5,6-epoxy-3-alpha-iso-pravastatin[c] => ADP[c] + H+[c] + Pi[c] + 5,6-epoxy-3-alpha-iso-pravastatin[s]" 1000 0.001681601 Drug metabolism +6EPSteb ATP[c] + H2O[c] + 6-epipravastatin[c] => ADP[c] + H+[c] + Pi[c] + 6-epipravastatin[s] 1000 0.001681601 Drug metabolism +7HPVSteb ATP[c] + H2O[c] + 7-hydroxy-3-alpha-iso-pravastatin[c] => ADP[c] + H+[c] + Pi[c] + 7-hydroxy-3-alpha-iso-pravastatin[s] 1000 0.001681601 Drug metabolism +ACMPGLUTtep ATP[c] + H2O[c] + acetaminophen-glutathione-conjugate[c] => ADP[c] + H+[c] + Pi[c] + acetaminophen-glutathione-conjugate[s] 1000 0.000840801 Drug metabolism +ACMPGLUTthc ATP[c] + H2O[c] + acetaminophen-glutathione-conjugate[s] => ADP[c] + H+[c] + Pi[c] + acetaminophen-glutathione-conjugate[c] 1000 0.000840801 Drug metabolism +ACMPGLUtep ATP[c] + H2O[c] + Acetaminophen glucuronide[c] => ADP[c] + H+[c] + Pi[c] + Acetaminophen glucuronide[s] 1000 0.000840801 Drug metabolism +ACMPGLUthc ATP[c] + H2O[c] + Acetaminophen glucuronide[s] => ADP[c] + H+[c] + Pi[c] + Acetaminophen glucuronide[c] 1000 0.000840801 Drug metabolism +CRVSATPtu ATP[c] + H2O[c] + cerivastatin[c] => ADP[c] + H+[c] + Pi[c] + cerivastatin[s] 1000 0.001681601 Drug metabolism +CRVSM1teb ATP[c] + H2O[c] + cerivastatin-M1[c] => ADP[c] + H+[c] + Pi[c] + cerivastatin-M1[s] 1000 0.001681601 Drug metabolism +CRVSM23teb ATP[c] + H2O[c] + cerivastatin-M23[c] => ADP[c] + H+[c] + Pi[c] + cerivastatin-M23[s] 1000 0.001681601 Drug metabolism +CRVSM24teb ATP[c] + H2O[c] + cerivastatin-M24[c] => ADP[c] + H+[c] + Pi[c] + cerivastatin-M24[s] 1000 0.001681601 Drug metabolism +DSPVSteb ATP[c] + H2O[c] + desacyl dehydro-pravastatin[c] => ADP[c] + H+[c] + Pi[c] + desacyl dehydro-pravastatin[s] 1000 0.001681601 Drug metabolism +LVACLAChep ATP[c] + lovastatin-hydroxyacid form[c] => AMP[c] + PPi[c] + lovastatin lactone form[c] 1000 0.00083441 Drug metabolism +LVSTACIDhep H2O[c] + lovastatin lactone form[c] => H+[c] + lovastatin-hydroxyacid form[c] 1000 0.00083441 Drug metabolism +MERACMPtep ATP[c] + H2O[c] + acetaminophen-mercapturate-conjugate/N-acetyl-cysteine-acetaminophen[c] => ADP[c] + H+[c] + Pi[c] + acetaminophen-mercapturate-conjugate/N-acetyl-cysteine-acetaminophen[s] 1000 0.000840801 Drug metabolism +MERACMPthc ATP[c] + H2O[c] + acetaminophen-mercapturate-conjugate/N-acetyl-cysteine-acetaminophen[s] => ADP[c] + H+[c] + Pi[c] + acetaminophen-mercapturate-conjugate/N-acetyl-cysteine-acetaminophen[c] 1000 0.000840801 Drug metabolism +PTVSTATPtu ATP[c] + H2O[c] + pitavastatin[c] => ADP[c] + H+[c] + Pi[c] + pitavastatin[s] 1000 0.001681601 Drug metabolism +PVSATPtu ATP[c] + H2O[c] + pravastatin[c] => ADP[c] + H+[c] + Pi[c] + pravastatin[s] 1000 0.001681601 Drug metabolism +PVSGLUCteb ATP[c] + H2O[c] + pravastatin glucuronide[c] => ADP[c] + H+[c] + Pi[c] + pravastatin glucuronide[s] 1000 0.001681601 Drug metabolism +RSVATPtu ATP[c] + H2O[c] + rosuvastatin[c] => ADP[c] + H+[c] + Pi[c] + rosuvastatin[s] 1000 0.001681601 Drug metabolism +SMVHYDROhep H2O[c] + simvastatin lactone form[c] => H+[c] + simvastatin dihydroxy acid form[c] 1000 0.00083441 Drug metabolism +SMVLAChep ATP[c] + simvastatin dihydroxy acid form[c] => AMP[c] + PPi[c] + simvastatin lactone form[c] 1000 0.00083441 Drug metabolism +TRIPVSteb ATP[c] + H2O[c] + triol metabolite of pravastatin[c] => ADP[c] + H+[c] + Pi[c] + triol metabolite of pravastatin[s] 1000 0.001681601 Drug metabolism +Htmi H+[i] => H+[m] 1000 0.018058041 Transport reactions +CYOOm3i 4 ferrocytochrome C[m] + 7.92 H+[m] + O2[m] => 4 ferricytochrome C[m] + 1.96 H2O[m] + 0.02 O2-[m] + 4 H+[i] 1000 0.001153348 Oxidative phosphorylation +HMR_10023 biomass[c] => biomass[s] 7.65E-07 7.65E-07 Transport reactions +HMR_10062 0.0721 glycyl-tRNA(gly)[c] + 0.0801 L-alanyl-tRNA(ala)[c] + 0.0512 L-arginyl-tRNA(arg)[c] + 0.0375 L-asparaginyl-tRNA(asn)[c] + 0.0556 L-aspartyl-tRNA(asp)[c] + 0.0183 L-cysteinyl-tRNA(cys)[c] + 0.0428 L-glutaminyl-tRNA(gln)[c] + 0.0783 L-glutamyl-tRNA(glu)[c] + 0.0228 L-histidyl-tRNA(his)[c] + 0.0442 L-isoleucyl-tRNA(ile)[c] + 0.0911 L-leucyl-tRNA(leu)[c] + 0.0719 L-lysyl-tRNA(lys)[c] + 0.0222 L-methionyl-tRNA(met)[c] + 0.0368 L-phenylalanyl-tRNA(phe)[c] + 0.051 L-prolyl-tRNA(pro)[c] + 0.0661 L-seryl-tRNA(ser)[c] + 0.0535 L-threonyl-tRNA(thr)[c] + 0.0098 L-tryptophanyl-tRNA(trp)[c] + 0.0281 L-tyrosyl-tRNA(tyr)[c] + 0.0667 L-valyl-tRNA(val)[c] => 0.0801 tRNA(ala)[c] + 0.0512 tRNA(arg)[c] + 0.0375 tRNA(asn)[c] + 0.0556 tRNA(asp)[c] + 0.0183 tRNA(cys)[c] + 0.0428 tRNA(gln)[c] + 0.0783 tRNA(glu)[c] + 0.0721 tRNA(gly)[c] + 0.0228 tRNA(his)[c] + 0.0442 tRNA(ile)[c] + 0.0911 tRNA(leu)[c] + 0.0719 tRNA(lys)[c] + 0.0222 tRNA(met)[c] + 0.0368 tRNA(phe)[c] + 0.051 tRNA(pro)[c] + 0.0661 tRNA(ser)[c] + 0.0535 tRNA(thr)[c] + 0.0098 tRNA(trp)[c] + 0.0281 tRNA(tyr)[c] + 0.0667 tRNA(val)[c] + protein_pool_biomass[c] 4.08E-06 4.08E-06 Artificial reactions +HMR_10063 0.1155 cholesterol[c] + 0.0115 cholesterol-ester pool[c] + 0.0205 CL pool[c] + 0.5029 PC-LD pool[c] + 0.1905 PE-LD pool[c] + 0.0692 PI pool[c] + 0.019 PS-LD pool[c] + 0.0613 SM pool[c] + 0.0096 PG-CL pool[c] => lipid_pool_biomass[c] 1.69E-07 1.69E-07 Artificial reactions +HMR_10064 "0.0043 (S)-dihydroorotate[c] + 0.0014 2,3-bisphospho-D-glycerate[c] + 0.0022 3-phospho-D-glycerate[c] + 0.0025 3-phosphoserine[c] + 0.0002 acetyl-CoA[c] + 0.0033 ADP[c] + 0.0046 AKG[c] + 0.0404 alanine[c] + 0.0002 AMP[c] + 0.0015 arginine[c] + 0.0012 asparagine[c] + 0.0865 aspartate[c] + 0.0271 ATP[c] + 0.0034 citrate[c] + 0.0234 CoA[c] + 0.0052 CTP[c] + 0.0005 cysteine[c] + 0.0001 dAMP[c] + 0.0002 dCMP[c] + 0.0094 DHAP[c] + 0.0088 fructose-1,6-bisphosphate[c] + 0.0006 fructose-6-phosphate[c] + 0.0028 fumarate[c] + 0.0008 GAP[c] + 0.0002 GDP[c] + 0.0039 glucose-6-phosphate[c] + 0.3694 glutamate[c] + 0.0998 glutamine[c] + 0.0215 glycine[c] + 0.0001 GMP[c] + 0.0179 GSH[c] + 0.0001 GSSG[c] + 0.0039 GTP[c] + 0.0024 histidine[c] + 0.0002 isocitrate[c] + 0.0102 isoleucine[c] + 0.0102 leucine[c] + 0.0029 lysine[c] + 0.0081 malate[c] + 0.0037 methionine[c] + 0.0029 NAD+[c] + 0.0004 NADH[c] + 0.0002 NADP+[c] + 0.0004 NADPH[c] + 0.0049 phenylalanine[c] + 0.0102 phenylpyruvate[c] + 0.0071 proline[c] + 0.034 pyruvate[c] + 0.0002 ribose-5-phosphate[c] + 0.0282 serine[c] + 0.0388 threonine[c] + 0.001 tryptophan[c] + 0.0054 tyrosine[c] + 0.0008 UDP[c] + 0.0088 UDP-glucose[c] + 0.0006 UDP-glucuronate[c] + 0.052 UDP-N-acetylglucosamine[c] + 0.0102 UTP[c] + 0.0088 valine[c] => metabolite_pool_biomass[c]" 3.70E-07 3.70E-07 Artificial reactions +HMR_10066 20alpha-hydroxy-4-pregnen-3-one[c] + NAD+[c] => H+[c] + NADH[c] + progesterone[c] 1000 0.000706792 Steroid metabolism +HMR_10067 "1D-myo-inositol-1,3,4,5,6-pentakisphosphate[c] + H2O[c] => 1D-myo-inositol-1,4,5,6-tetrakisphosphate[c] + Pi[c]" 1000 0.000718384 Inositol phosphate metabolism +HMR_10082 ATP[c] + H2O[c] + omega-muricholic acid[c] => ADP[c] + H+[c] + Pi[c] + omega-muricholic acid[s] 1000 0.001681602 Transport reactions +HMR_10103 ATP[c] + H2O[c] + hyocholic acid[c] => ADP[c] + H+[c] + Pi[c] + hyocholic acid[s] 1000 0.001681601 Transport reactions +HMR_10110 ATP[c] + H2O[c] + dehydrocholic acid[c] => ADP[c] + H+[c] + Pi[c] + dehydrocholic acid[s] 1000 0.001681602 Transport reactions +HMR_10118 2 Na+[s] + omega-muricholic acid[s] => 2 Na+[c] + omega-muricholic acid[c] 1000 0.001681602 Transport reactions +HMR_10119 2 Na+[s] + hyocholic acid[s] => 2 Na+[c] + hyocholic acid[c] 1000 0.001681601 Transport reactions +HMR_10120 2 Na+[s] + dehydrocholic acid[s] => 2 Na+[c] + dehydrocholic acid[c] 1000 0.001681602 Transport reactions +HMR_10125 ATP[c] + H2O[c] + tauro-hyodeoxycholic acid[c] => ADP[c] + H+[c] + Pi[c] + tauro-hyodeoxycholic acid[s] 1000 0.001681602 Transport reactions +HMR_10127 2 Na+[s] + tauro-hyodeoxycholic acid[s] => 2 Na+[c] + tauro-hyodeoxycholic acid[c] 1000 0.001681602 Transport reactions +HMR_3923 "glycine[m] + NAD+[m] + THF[m] => 5,10-methylene-THF[m] + CO2[m] + H+[m] + NADH[m] + NH3[m]" 83.33333207 8.18E-05 Folate metabolism +HMR_7923 10-formyl-THF-glu(7)[m] => 10-formyl-THF-glu(7)[c] 166.6666641 0.000163575 Transport reactions \ No newline at end of file diff --git a/models/HOP62/HOP62.mat b/models/HOP62/HOP62.mat new file mode 100644 index 00000000..3e8e6e13 Binary files /dev/null and b/models/HOP62/HOP62.mat differ diff --git a/models/HOP62/ecModel_batch.mat b/models/HOP62/ecModel_batch.mat new file mode 100644 index 00000000..08268db9 Binary files /dev/null and b/models/HOP62/ecModel_batch.mat differ diff --git a/models/HOP92/HOP92.mat b/models/HOP92/HOP92.mat new file mode 100644 index 00000000..29b9ad02 Binary files /dev/null and b/models/HOP92/HOP92.mat differ diff --git a/models/HOP92/ecModel_batch.mat b/models/HOP92/ecModel_batch.mat new file mode 100644 index 00000000..2f567bed Binary files /dev/null and b/models/HOP92/ecModel_batch.mat differ diff --git 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