(* Generated by JWS Online *) (* This is an experimental feature of JWS Online. Please report any mistakes.*) (* Note that the following notable SBML entities or features are not supported in notebook outputyet: *) (* Events *) (* Constraints *) (* Units and UnitDefinitions *) (* AlgebraicRules *) (* conversionFactors *) variables = { accoa[t], cdhap[t], ce4p[t], cf6p[t], cfdp[t], cg1p[t], cg6p[t], cgap[t], cglcex[t], cpep[t], cpg[t], cpg2[t], cpg3[t], cpgp[t], cpyr[t], crib5p[t], cribu5p[t], csed7p[t], cur[t], cur\[LetterSpace]ext[t], cxyl5p[t], fer[t], fer\[LetterSpace]ext[t], fercoa[t], ferdicoa[t], malcoa[t] }; initialValues = { accoa[0] == 1.0, cdhap[0] == 0.167, ce4p[0] == 0.098, cf6p[0] == 0.6, cfdp[0] == 0.272, cg1p[0] == 0.653, cg6p[0] == 3.48, cgap[0] == 0.218, cglcex[0] == 55.5, cpep[0] == 2.67, cpg[0] == 0.808, cpg2[0] == 0.399, cpg3[0] == 2.13, cpgp[0] == 0.008, cpyr[0] == 2.67, crib5p[0] == 0.398, cribu5p[0] == 0.111, csed7p[0] == 0.276, cur[0] == 0.0, cur\[LetterSpace]ext[0] == 0.0, cxyl5p[0] == 0.138, fer[0] == 0.0, fer\[LetterSpace]ext[0] == 271.5, fercoa[0] == 0.0, ferdicoa[0] == 0.0, malcoa[0] == 1.0 }; rates = { ACCOAC, CURS, CUR\[LetterSpace]t, DCS, EX\[LetterSpace]CUR, EX\[LetterSpace]FER, FER\[LetterSpace]t, R4CL, Synth3, Synth4, vACCOA, vALDO, vCUR, vDAHPS, vDHAP, vE4P, vENO, vEXTER, vFER, vFERCOA, vFERDICOA, vG1PAT, vG3PDH, vG6P, vG6PDH, vGAP, vGAPDH, vGLP, vMALCOA, vMURSyNTH, vMethSynth, vPDH, vPEP, vPFK, vPG, vPG3, vPGDH, vPGI, vPGK, vPGM, vPGP, vPK, vPPK, vPTS, vR5PI, vRIB5P, vRibu5p, vRu5P, vSED7P, vSynth1, vSynth2, vTA, vTIS, vTKA, vTKB, vTRPSYNTH, vXYL5P, vf6P, vfdP, vpepCxylase, vpg2, vpyr, vrpGluMu, vsersynth }; rateEquations = { ACCOAC -> (ACCOAC\[LetterSpace]rmaxACCOAC*cytosol*accoa[t])/(accoa[t] + ACCOAC\[LetterSpace]K\[LetterSpace]ACCOAC\[LetterSpace]accoa*(1 + malcoa[t]/ACCOAC\[LetterSpace]Ki\[LetterSpace]ACCOAC\[LetterSpace]malcoa)), CURS -> (CURS\[LetterSpace]E\[LetterSpace]CURS*CURS\[LetterSpace]kcat\[LetterSpace]CURS*fercoa[t]*ferdicoa[t])/((CURS\[LetterSpace]Km\[LetterSpace]CURS\[LetterSpace]fercoa + fercoa[t])*(CURS\[LetterSpace]Km\[LetterSpace]CURS\[LetterSpace]ferdicoa + ferdicoa[t])), CUR\[LetterSpace]t -> CUR\[LetterSpace]t\[LetterSpace]k\[LetterSpace]CUR\[LetterSpace]t*cytosol*(cur[t] - cur\[LetterSpace]ext[t]/CUR\[LetterSpace]t\[LetterSpace]Keq\[LetterSpace]CUR\[LetterSpace]t), DCS -> (DCS\[LetterSpace]E\[LetterSpace]DCS*DCS\[LetterSpace]kcat\[LetterSpace]DCS*fercoa[t]^DCS\[LetterSpace]n\[LetterSpace]DCS\[LetterSpace]fercoa*malcoa[t])/((DCS\[LetterSpace]Km\[LetterSpace]DCS\[LetterSpace]fercoa^DCS\[LetterSpace]n\[LetterSpace]DCS\[LetterSpace]fercoa + fercoa[t]^DCS\[LetterSpace]n\[LetterSpace]DCS\[LetterSpace]fercoa)*(DCS\[LetterSpace]Km\[LetterSpace]DCS\[LetterSpace]malcoa + malcoa[t])), EX\[LetterSpace]CUR -> Dil*extracellular*cur\[LetterSpace]ext[t], EX\[LetterSpace]FER -> Dil*extracellular*(EX\[LetterSpace]FER\[LetterSpace]cfeed\[LetterSpace]fer - fer\[LetterSpace]ext[t]), FER\[LetterSpace]t -> extracellular*FER\[LetterSpace]t\[LetterSpace]k\[LetterSpace]FER\[LetterSpace]t*(-(fer[t]/FER\[LetterSpace]t\[LetterSpace]Keq\[LetterSpace]FER\[LetterSpace]t) + fer\[LetterSpace]ext[t]), R4CL -> (R4CL\[LetterSpace]E\[LetterSpace]4CL*R4CL\[LetterSpace]kcat\[LetterSpace]4CL*fer[t])/(R4CL\[LetterSpace]Km\[LetterSpace]4CL + fer[t]), Synth3 -> (cytosol*Synth3\[LetterSpace]rmaxSynth3*accoa[t])/(Synth3\[LetterSpace]KSynth3accoa + accoa[t]), Synth4 -> (cytosol*Synth4\[LetterSpace]rmaxSynth4*malcoa[t])/(Synth4\[LetterSpace]KSynth4malcoa + malcoa[t]), vACCOA -> cytosol*Dil*accoa[t], vALDO -> (cytosol*vALDO\[LetterSpace]rmaxALDO*(cfdp[t] - (cdhap[t]*cgap[t])/vALDO\[LetterSpace]kALDOeq))/(vALDO\[LetterSpace]kALDOfdp + (vALDO\[LetterSpace]kALDOgap*cdhap[t])/(vALDO\[LetterSpace]kALDOeq*vALDO\[LetterSpace]VALDOblf) + cfdp[t] + (vALDO\[LetterSpace]kALDOdhap*cgap[t])/(vALDO\[LetterSpace]kALDOeq*vALDO\[LetterSpace]VALDOblf) + (cdhap[t]*cgap[t])/(vALDO\[LetterSpace]kALDOeq*vALDO\[LetterSpace]VALDOblf) + (cfdp[t]*cgap[t])/vALDO\[LetterSpace]kALDOgapinh), vCUR -> cytosol*Dil*cur[t], vDAHPS -> (cytosol*vDAHPS\[LetterSpace]rmaxDAHPS*ce4p[t]^vDAHPS\[LetterSpace]nDAHPSe4p*cpep[t]^vDAHPS\[LetterSpace]nDAHPSpep)/((vDAHPS\[LetterSpace]KDAHPSe4p + ce4p[t]^vDAHPS\[LetterSpace]nDAHPSe4p)*(vDAHPS\[LetterSpace]KDAHPSpep + cpep[t]^vDAHPS\[LetterSpace]nDAHPSpep)), vDHAP -> cytosol*Dil*cdhap[t], vE4P -> cytosol*Dil*ce4p[t], vENO -> (cytosol*vENO\[LetterSpace]rmaxENO*(-(cpep[t]/vENO\[LetterSpace]KENOeq) + cpg2[t]))/(vENO\[LetterSpace]KENOpg2*(1 + cpep[t]/vENO\[LetterSpace]KENOpep) + cpg2[t]), vEXTER -> Dil*extracellular*(vEXTER\[LetterSpace]cfeed\[LetterSpace]glc - cglcex[t]), vFER -> cytosol*Dil*fer[t], vFERCOA -> cytosol*Dil*fercoa[t], vFERDICOA -> cytosol*Dil*ferdicoa[t], vG1PAT -> (catp*cytosol*vG1PAT\[LetterSpace]rmaxG1PAT*(1 + (cfdp[t]/vG1PAT\[LetterSpace]KG1PATfdp)^vG1PAT\[LetterSpace]nG1PATfdp)*cg1p[t])/((catp + vG1PAT\[LetterSpace]KG1PATatp)*(vG1PAT\[LetterSpace]KG1PATg1p + cg1p[t])), vG3PDH -> (cytosol*vG3PDH\[LetterSpace]rmaxG3PDH*cdhap[t])/(vG3PDH\[LetterSpace]KG3PDHdhap + cdhap[t]), vG6P -> cytosol*Dil*cg6p[t], vG6PDH -> (cnadp*cytosol*vG6PDH\[LetterSpace]rmaxG6PDH*cg6p[t])/((1 + cnadph/vG6PDH\[LetterSpace]KG6PDHnadphg6pinh)*(cnadp + vG6PDH\[LetterSpace]KG6PDHnadp*(1 + cnadph/vG6PDH\[LetterSpace]KG6PDHnadphnadpinh))*(vG6PDH\[LetterSpace]KG6PDHg6p + cg6p[t])), vGAP -> cytosol*Dil*cgap[t], vGAPDH -> (cytosol*vGAPDH\[LetterSpace]rmaxGAPDH*(cnad*cgap[t] - (cnadh*cpgp[t])/vGAPDH\[LetterSpace]KGAPDHeq))/((cnad + vGAPDH\[LetterSpace]KGAPDHnad*(1 + cnadh/vGAPDH\[LetterSpace]KGAPDHnadh))*(cgap[t] + vGAPDH\[LetterSpace]KGAPDHgap*(1 + cpgp[t]/vGAPDH\[LetterSpace]KGAPDHpgp))), vGLP -> cytosol*Dil*cg1p[t], vMALCOA -> cytosol*Dil*malcoa[t], vMURSyNTH -> cytosol*vMURSyNTH\[LetterSpace]rmaxMurSynth, vMethSynth -> cytosol*vMethSynth\[LetterSpace]rmaxMetSynth, vPDH -> (cytosol*vPDH\[LetterSpace]rmaxPDH*cpyr[t]^vPDH\[LetterSpace]nPDH)/(vPDH\[LetterSpace]KPDHpyr*(1 + accoa[t]/vPDH\[LetterSpace]Ki\[LetterSpace]PDH\[LetterSpace]accoa) + cpyr[t]^vPDH\[LetterSpace]nPDH), vPEP -> cytosol*Dil*cpep[t], vPFK -> (catp*cytosol*vPFK\[LetterSpace]rmaxPFK*cf6p[t])/((catp + (1 + cadp/vPFK\[LetterSpace]KPFKadpc)*vPFK\[LetterSpace]KPFKatps)*(cf6p[t] + (vPFK\[LetterSpace]KPFKf6ps*(1 + cadp/vPFK\[LetterSpace]KPFKadpb + camp/vPFK\[LetterSpace]KPFKampb + cpep[t]/vPFK\[LetterSpace]KPFKpep))/(1 + cadp/vPFK\[LetterSpace]KPFKadpa + camp/vPFK\[LetterSpace]KPFKampa))*(1 + vPFK\[LetterSpace]LPFK/(1 + ((1 + cadp/vPFK\[LetterSpace]KPFKadpa + camp/vPFK\[LetterSpace]KPFKampa)*cf6p[t])/(vPFK\[LetterSpace]KPFKf6ps*(1 + cadp/vPFK\[LetterSpace]KPFKadpb + camp/vPFK\[LetterSpace]KPFKampb + cpep[t]/vPFK\[LetterSpace]KPFKpep)))^vPFK\[LetterSpace]nPFK)), vPG -> cytosol*Dil*cpg[t], vPG3 -> cytosol*Dil*cpg3[t], vPGDH -> (cnadp*cytosol*vPGDH\[LetterSpace]rmaxPGDH*cpg[t])/((cnadp + (1 + catp/vPGDH\[LetterSpace]KPGDHatpinh)*vPGDH\[LetterSpace]KPGDHnadp*(1 + cnadph/vPGDH\[LetterSpace]KPGDHnadphinh))*(vPGDH\[LetterSpace]KPGDHpg + cpg[t])), vPGI -> (cytosol*vPGI\[LetterSpace]rmaxPGI*(-(cf6p[t]/vPGI\[LetterSpace]KPGIeq) + cg6p[t]))/(cg6p[t] + vPGI\[LetterSpace]KPGIg6p*(1 + cpg[t]/vPGI\[LetterSpace]KPGIg6ppginh + cf6p[t]/(vPGI\[LetterSpace]KPGIf6p*(1 + cpg[t]/vPGI\[LetterSpace]KPGIf6ppginh)))), vPGK -> (cytosol*vPGK\[LetterSpace]rmaxPGK*(-((catp*cpg3[t])/vPGK\[LetterSpace]KPGKeq) + cadp*cpgp[t]))/((cadp + vPGK\[LetterSpace]KPGKadp*(1 + catp/vPGK\[LetterSpace]KPGKatp))*(vPGK\[LetterSpace]KPGKpgp*(1 + cpg3[t]/vPGK\[LetterSpace]KPGKpg3) + cpgp[t])), vPGM -> (cytosol*vPGM\[LetterSpace]rmaxPGM*(-(cg1p[t]/vPGM\[LetterSpace]KPGMeq) + cg6p[t]))/(vPGM\[LetterSpace]KPGMg6p*(1 + cg1p[t]/vPGM\[LetterSpace]KPGMg1p) + cg6p[t]), vPGP -> cytosol*Dil*cpgp[t], vPK -> (cadp*cytosol*vPK\[LetterSpace]rmaxPK*cpep[t]*(1 + cpep[t]/vPK\[LetterSpace]KPKpep)^(-1 + vPK\[LetterSpace]nPK))/((cadp + vPK\[LetterSpace]KPKadp)*vPK\[LetterSpace]KPKpep*(vPK\[LetterSpace]LPK*((1 + catp/vPK\[LetterSpace]KPKatp)/(1 + camp/vPK\[LetterSpace]KPKamp + cfdp[t]/vPK\[LetterSpace]KPKfdp))^vPK\[LetterSpace]nPK + (1 + cpep[t]/vPK\[LetterSpace]KPKpep)^vPK\[LetterSpace]nPK)), vPPK -> (cytosol*vPPK\[LetterSpace]rmaxRPPK*crib5p[t])/(vPPK\[LetterSpace]KRPPKrib5p + crib5p[t]), vPTS -> (extracellular*vPTS\[LetterSpace]rmaxPTS*cglcex[t]*cpep[t])/((1 + cg6p[t]^vPTS\[LetterSpace]nPTSg6p/vPTS\[LetterSpace]KPTSg6p)*(vPTS\[LetterSpace]KPTSa1 + vPTS\[LetterSpace]KPTSa3*cglcex[t] + (vPTS\[LetterSpace]KPTSa2*cpep[t])/cpyr[t] + (cglcex[t]*cpep[t])/cpyr[t])*cpyr[t]), vR5PI -> cytosol*vR5PI\[LetterSpace]rmaxR5PI*(-(crib5p[t]/vR5PI\[LetterSpace]KR5PIeq) + cribu5p[t]), vRIB5P -> cytosol*Dil*crib5p[t], vRibu5p -> cytosol*Dil*cribu5p[t], vRu5P -> cytosol*vRu5P\[LetterSpace]rmaxRu5P*(cribu5p[t] - cxyl5p[t]/vRu5P\[LetterSpace]KRu5Peq), vSED7P -> cytosol*Dil*csed7p[t], vSynth1 -> (cytosol*vSynth1\[LetterSpace]rmaxSynth1*cpep[t])/(vSynth1\[LetterSpace]KSynth1pep + cpep[t]), vSynth2 -> (cytosol*vSynth2\[LetterSpace]rmaxSynth2*cpyr[t])/(vSynth2\[LetterSpace]KSynth2pyr + cpyr[t]), vTA -> cytosol*vTA\[LetterSpace]rmaxTA*(-((ce4p[t]*cf6p[t])/vTA\[LetterSpace]KTAeq) + cgap[t]*csed7p[t]), vTIS -> (cytosol*vTIS\[LetterSpace]rmaxTIS*(cdhap[t] - cgap[t]/vTIS\[LetterSpace]kTISeq))/(cdhap[t] + vTIS\[LetterSpace]kTISdhap*(1 + cgap[t]/vTIS\[LetterSpace]kTISgap)), vTKA -> cytosol*vTKA\[LetterSpace]rmaxTKa*(-((cgap[t]*csed7p[t])/vTKA\[LetterSpace]KTKaeq) + crib5p[t]*cxyl5p[t]), vTKB -> cytosol*vTKB\[LetterSpace]rmaxTKb*(-((cf6p[t]*cgap[t])/vTKB\[LetterSpace]KTKbeq) + ce4p[t]*cxyl5p[t]), vTRPSYNTH -> cytosol*vTRPSYNTH\[LetterSpace]rmaxTrpSynth, vXYL5P -> cytosol*Dil*cxyl5p[t], vf6P -> cytosol*Dil*cf6p[t], vfdP -> cytosol*Dil*cfdp[t], vpepCxylase -> (cytosol*vpepCxylase\[LetterSpace]rmaxpepCxylase*(1 + (cfdp[t]/vpepCxylase\[LetterSpace]KpepCxylasefdp)^vpepCxylase\[LetterSpace]npepCxylasefdp)*cpep[t])/(vpepCxylase\[LetterSpace]KpepCxylasepep + cpep[t]), vpg2 -> cytosol*Dil*cpg2[t], vpyr -> cytosol*Dil*cpyr[t], vrpGluMu -> (cytosol*vrpGluMu\[LetterSpace]rmaxPGluMu*(-(cpg2[t]/vrpGluMu\[LetterSpace]KPGluMueq) + cpg3[t]))/(vrpGluMu\[LetterSpace]KPGluMupg3*(1 + cpg2[t]/vrpGluMu\[LetterSpace]KPGluMupg2) + cpg3[t]), vsersynth -> (cytosol*vsersynth\[LetterSpace]rmaxSerSynth*cpg3[t])/(vsersynth\[LetterSpace]KSerSynthpg3 + cpg3[t]) }; parameters = { Dil -> 0.0, cadp -> 0.595, camp -> 0.955, catp -> 4.27, cnad -> 1.47, cnadh -> 0.1, cnadp -> 0.195, cnadph -> 0.062, vPTS\[LetterSpace]rmaxPTS -> 7829.78, vPTS\[LetterSpace]KPTSa1 -> 3082.3, vPTS\[LetterSpace]KPTSa2 -> 0.01, vPTS\[LetterSpace]KPTSa3 -> 245.3, vPTS\[LetterSpace]nPTSg6p -> 3.66, vPTS\[LetterSpace]KPTSg6p -> 2.15, vPGI\[LetterSpace]rmaxPGI -> 650.9878687, vPGI\[LetterSpace]KPGIeq -> 0.1725, vPGI\[LetterSpace]KPGIg6p -> 2.9, vPGI\[LetterSpace]KPGIf6p -> 0.266, vPGI\[LetterSpace]KPGIf6ppginh -> 0.2, vPGI\[LetterSpace]KPGIg6ppginh -> 0.2, vPGM\[LetterSpace]rmaxPGM -> 0.8398242773, vPGM\[LetterSpace]KPGMeq -> 0.196, vPGM\[LetterSpace]KPGMg6p -> 1.038, vPGM\[LetterSpace]KPGMg1p -> 0.0136, vG6PDH\[LetterSpace]rmaxG6PDH -> 1.380196955, vG6PDH\[LetterSpace]KG6PDHg6p -> 14.4, vG6PDH\[LetterSpace]KG6PDHnadphg6pinh -> 6.43, vG6PDH\[LetterSpace]KG6PDHnadp -> 0.0246, vG6PDH\[LetterSpace]KG6PDHnadphnadpinh -> 0.01, vPFK\[LetterSpace]rmaxPFK -> 1840.584747, vPFK\[LetterSpace]KPFKatps -> 0.123, vPFK\[LetterSpace]KPFKadpc -> 4.14, vPFK\[LetterSpace]KPFKf6ps -> 0.325, vPFK\[LetterSpace]KPFKpep -> 3.26, vPFK\[LetterSpace]KPFKadpb -> 3.89, vPFK\[LetterSpace]KPFKampb -> 3.2, vPFK\[LetterSpace]KPFKadpa -> 128.0, vPFK\[LetterSpace]KPFKampa -> 19.1, vPFK\[LetterSpace]LPFK -> 5629067.0, vPFK\[LetterSpace]nPFK -> 11.1, vTA\[LetterSpace]rmaxTA -> 10.87164108, vTA\[LetterSpace]KTAeq -> 1.05, vTKA\[LetterSpace]rmaxTKa -> 9.473384783, vTKA\[LetterSpace]KTKaeq -> 1.2, vTKB\[LetterSpace]rmaxTKb -> 86.55855855, vTKB\[LetterSpace]KTKbeq -> 10.0, vMURSyNTH\[LetterSpace]rmaxMurSynth -> 0.0, vALDO\[LetterSpace]rmaxALDO -> 17.41464425, vALDO\[LetterSpace]kALDOeq -> 0.144, vALDO\[LetterSpace]kALDOfdp -> 1.75, vALDO\[LetterSpace]kALDOgap -> 0.088, vALDO\[LetterSpace]VALDOblf -> 2.0, vALDO\[LetterSpace]kALDOdhap -> 0.088, vALDO\[LetterSpace]kALDOgapinh -> 0.6, vGAPDH\[LetterSpace]rmaxGAPDH -> 921.5942861, vGAPDH\[LetterSpace]KGAPDHeq -> 0.63, vGAPDH\[LetterSpace]KGAPDHgap -> 0.683, vGAPDH\[LetterSpace]KGAPDHpgp -> 1.04*^-05, vGAPDH\[LetterSpace]KGAPDHnad -> 0.252, vGAPDH\[LetterSpace]KGAPDHnadh -> 1.09, vTIS\[LetterSpace]rmaxTIS -> 68.67474392, vTIS\[LetterSpace]kTISeq -> 1.39, vTIS\[LetterSpace]kTISdhap -> 2.8, vTIS\[LetterSpace]kTISgap -> 0.3, vTRPSYNTH\[LetterSpace]rmaxTrpSynth -> 0.001037, vG3PDH\[LetterSpace]rmaxG3PDH -> 0.01162042696, vG3PDH\[LetterSpace]KG3PDHdhap -> 1.0, vPGK\[LetterSpace]rmaxPGK -> 3021.773771, vPGK\[LetterSpace]KPGKeq -> 1934.4, vPGK\[LetterSpace]KPGKadp -> 0.185, vPGK\[LetterSpace]KPGKatp -> 0.653, vPGK\[LetterSpace]KPGKpgp -> 0.0468, vPGK\[LetterSpace]KPGKpg3 -> 0.473, vsersynth\[LetterSpace]rmaxSerSynth -> 0.025712107, vsersynth\[LetterSpace]KSerSynthpg3 -> 1.0, vrpGluMu\[LetterSpace]rmaxPGluMu -> 89.04965407, vrpGluMu\[LetterSpace]KPGluMueq -> 0.188, vrpGluMu\[LetterSpace]KPGluMupg3 -> 0.2, vrpGluMu\[LetterSpace]KPGluMupg2 -> 0.369, vENO\[LetterSpace]rmaxENO -> 330.4476151, vENO\[LetterSpace]KENOeq -> 6.73, vENO\[LetterSpace]KENOpg2 -> 0.1, vENO\[LetterSpace]KENOpep -> 0.135, vPK\[LetterSpace]rmaxPK -> 0.06113150238, vPK\[LetterSpace]KPKpep -> 0.31, vPK\[LetterSpace]nPK -> 4.0, vPK\[LetterSpace]LPK -> 1000.0, vPK\[LetterSpace]KPKatp -> 22.5, vPK\[LetterSpace]KPKfdp -> 0.19, vPK\[LetterSpace]KPKamp -> 0.2, vPK\[LetterSpace]KPKadp -> 0.26, vpepCxylase\[LetterSpace]rmaxpepCxylase -> 0.1070205858, vpepCxylase\[LetterSpace]KpepCxylasefdp -> 0.7, vpepCxylase\[LetterSpace]npepCxylasefdp -> 4.21, vpepCxylase\[LetterSpace]KpepCxylasepep -> 4.07, vSynth1\[LetterSpace]rmaxSynth1 -> 0.01953897003, vSynth1\[LetterSpace]KSynth1pep -> 1.0, vSynth2\[LetterSpace]rmaxSynth2 -> 0.07361855055, vSynth2\[LetterSpace]KSynth2pyr -> 1.0, vDAHPS\[LetterSpace]rmaxDAHPS -> 0.1079531227, vDAHPS\[LetterSpace]nDAHPSe4p -> 2.6, vDAHPS\[LetterSpace]nDAHPSpep -> 2.2, vDAHPS\[LetterSpace]KDAHPSe4p -> 0.035, vDAHPS\[LetterSpace]KDAHPSpep -> 0.0053, vPDH\[LetterSpace]rmaxPDH -> 270.27734, vPDH\[LetterSpace]nPDH -> 3.68, vPDH\[LetterSpace]KPDHpyr -> 1159.0, vPDH\[LetterSpace]Ki\[LetterSpace]PDH\[LetterSpace]accoa -> 0.0222222, vMethSynth\[LetterSpace]rmaxMetSynth -> 0.0022627, vPGDH\[LetterSpace]rmaxPGDH -> 16.23235977, vPGDH\[LetterSpace]KPGDHpg -> 37.5, vPGDH\[LetterSpace]KPGDHnadp -> 0.0506, vPGDH\[LetterSpace]KPGDHnadphinh -> 0.0138, vPGDH\[LetterSpace]KPGDHatpinh -> 208.0, vR5PI\[LetterSpace]rmaxR5PI -> 4.83841193, vR5PI\[LetterSpace]KR5PIeq -> 4.0, vRu5P\[LetterSpace]rmaxRu5P -> 6.739029475, vRu5P\[LetterSpace]KRu5Peq -> 1.4, vPPK\[LetterSpace]rmaxRPPK -> 0.01290045226, vPPK\[LetterSpace]KRPPKrib5p -> 0.1, vG1PAT\[LetterSpace]rmaxG1PAT -> 0.007525458026, vG1PAT\[LetterSpace]KG1PATfdp -> 0.119, vG1PAT\[LetterSpace]nG1PATfdp -> 1.2, vG1PAT\[LetterSpace]KG1PATatp -> 4.42, vG1PAT\[LetterSpace]KG1PATg1p -> 3.2, vEXTER\[LetterSpace]cfeed\[LetterSpace]glc -> 110.96, ACCOAC\[LetterSpace]rmaxACCOAC -> 0.04634, ACCOAC\[LetterSpace]K\[LetterSpace]ACCOAC\[LetterSpace]accoa -> 0.0003, ACCOAC\[LetterSpace]Ki\[LetterSpace]ACCOAC\[LetterSpace]malcoa -> 0.1, Synth3\[LetterSpace]rmaxSynth3 -> 0.284, Synth3\[LetterSpace]KSynth3accoa -> 1.0, Synth4\[LetterSpace]rmaxSynth4 -> 0.092372, Synth4\[LetterSpace]KSynth4malcoa -> 1.0, R4CL\[LetterSpace]E\[LetterSpace]4CL -> 100.0, R4CL\[LetterSpace]kcat\[LetterSpace]4CL -> 9.572, R4CL\[LetterSpace]Km\[LetterSpace]4CL -> 0.026, DCS\[LetterSpace]E\[LetterSpace]DCS -> 100.0, DCS\[LetterSpace]kcat\[LetterSpace]DCS -> 0.01343, DCS\[LetterSpace]Km\[LetterSpace]DCS\[LetterSpace]fercoa -> 0.046, DCS\[LetterSpace]Km\[LetterSpace]DCS\[LetterSpace]malcoa -> 0.0084, DCS\[LetterSpace]n\[LetterSpace]DCS\[LetterSpace]fercoa -> 1.8, CURS\[LetterSpace]E\[LetterSpace]CURS -> 100.0, CURS\[LetterSpace]kcat\[LetterSpace]CURS -> 0.02163, CURS\[LetterSpace]Km\[LetterSpace]CURS\[LetterSpace]fercoa -> 0.018, CURS\[LetterSpace]Km\[LetterSpace]CURS\[LetterSpace]ferdicoa -> 0.018, FER\[LetterSpace]t\[LetterSpace]k\[LetterSpace]FER\[LetterSpace]t -> 1000.0, FER\[LetterSpace]t\[LetterSpace]Keq\[LetterSpace]FER\[LetterSpace]t -> 1.0, CUR\[LetterSpace]t\[LetterSpace]k\[LetterSpace]CUR\[LetterSpace]t -> 1000.0, CUR\[LetterSpace]t\[LetterSpace]Keq\[LetterSpace]CUR\[LetterSpace]t -> 1.0, EX\[LetterSpace]FER\[LetterSpace]cfeed\[LetterSpace]fer -> 500.0, cytosol -> 1.0, extracellular -> 65.0 }; assignments = { }; events = { }; speciesAnnotations = { }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { accoa'[t] == 1.0*vPDH -1.0*ACCOAC -1.0*Synth3 -1.0*vACCOA, cdhap'[t] == 1.0*vALDO -1.0*vTIS -1.0*vG3PDH -1.0*vDHAP, ce4p'[t] == 1.0*vTA -1.0*vTKB -1.0*vDAHPS -1.0*vE4P, cf6p'[t] == 1.0*vPGI +1.0*vTA +1.0*vTKB -1.0*vPFK -2.0*vMURSyNTH -1.0*vf6P, cfdp'[t] == 1.0*vPFK -1.0*vALDO -1.0*vfdP, cg1p'[t] == 1.0*vPGM -1.0*vG1PAT -1.0*vGLP, cg6p'[t] == 1.0*vPTS -1.0*vPGI -1.0*vPGM -1.0*vG6PDH -1.0*vG6P, cgap'[t] == 1.0*vTKA +1.0*vTKB +1.0*vALDO +1.0*vTIS +1.0*vTRPSYNTH -1.0*vTA -1.0*vGAPDH -1.0*vGAP, cglcex'[t] == 1.0*vEXTER -1.0*vPTS, cpep'[t] == 1.0*vENO -1.0*vPTS -1.0*vPK -1.0*vpepCxylase -1.0*vSynth1 -1.0*vDAHPS -1.0*vPEP, cpg'[t] == 1.0*vG6PDH -1.0*vPGDH -1.0*vPG, cpg2'[t] == 1.0*vrpGluMu -1.0*vENO -1.0*vpg2, cpg3'[t] == 1.0*vPGK -1.0*vsersynth -1.0*vrpGluMu -1.0*vPG3, cpgp'[t] == 1.0*vGAPDH -1.0*vPGK -1.0*vPGP, cpyr'[t] == 1.0*vPTS +1.0*vTRPSYNTH +1.0*vPK +1.0*vMethSynth -1.0*vSynth2 -1.0*vPDH -1.0*vpyr, crib5p'[t] == 1.0*vR5PI -1.0*vTKA -1.0*vPPK -1.0*vRIB5P, cribu5p'[t] == 1.0*vPGDH -1.0*vR5PI -1.0*vRu5P -1.0*vRibu5p, csed7p'[t] == 1.0*vTKA -1.0*vTA -1.0*vSED7P, cur'[t] == 1.0*CURS -1.0*CUR\[LetterSpace]t -1.0*vCUR, cur\[LetterSpace]ext'[t] == 1.0*CUR\[LetterSpace]t -1.0*EX\[LetterSpace]CUR, cxyl5p'[t] == 1.0*vRu5P -1.0*vTKA -1.0*vTKB -1.0*vXYL5P, fer'[t] == 1.0*FER\[LetterSpace]t -1.0*R4CL -1.0*vFER, fer\[LetterSpace]ext'[t] == 1.0*EX\[LetterSpace]FER -1.0*FER\[LetterSpace]t, fercoa'[t] == 1.0*R4CL -1.0*DCS -1.0*CURS -1.0*vFERCOA, ferdicoa'[t] == 1.0*DCS -1.0*CURS -1.0*vFERDICOA, malcoa'[t] == 1.0*ACCOAC -1.0*Synth4 -1.0*DCS -1.0*vMALCOA }; timeCourse = NDSolve[Join[odes, initialValues]//.rateEquations//.assignments//.parameters, variables, {t, 0, 100}]; (* Steady-state solution initialized with result of time evolution *) findRootEquations = odes /.D[_[t],t]->0; findRootVariables = Partition[Flatten[{#, #/.timeCourse/.t->100} &/@variables],2]; steadyStateVariables = FindRoot[findRootEquations//.rateEquations//.assignments//.parameters, findRootVariables, MaxIterations->100] fluxes = #//.assignments//.parameters/.steadyStateVariables&/@rateEquations (* Plot the time evolution of the variables *) plotTable=Table[Plot[variables[[i]]/.parameters/.timeCourse,{t,0,100},PlotLegends->variables[[i]],PlotRange->Full],{i,Length[variables]}]