(* 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 = { 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], cxyl5p[t] }; initialValues = { 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] == 2.0, 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, cxyl5p[0] == 0.138 }; rates = { vALDO, vDAHPS, vDHAP, vE4P, vENO, vEXTER, vG1PAT, vG3PDH, vG6P, vG6PDH, vGAP, vGAPDH, vGLP, 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 = { 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), 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*vDHAP\[LetterSpace]mu*cdhap[t], vE4P -> cytosol*vE4P\[LetterSpace]mu*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 -> extracellular*vEXTER\[LetterSpace]Dil*(vEXTER\[LetterSpace]cfeed - cglcex[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*vG6P\[LetterSpace]mu*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*vGAP\[LetterSpace]mu*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*vGLP\[LetterSpace]mu*cg1p[t], vMURSyNTH -> cytosol*vMURSyNTH\[LetterSpace]rmaxMurSynth, vMethSynth -> cytosol*vMethSynth\[LetterSpace]rmaxMetSynth, vPDH -> (cytosol*vPDH\[LetterSpace]rmaxPDH*cpyr[t]^vPDH\[LetterSpace]nPDH)/(vPDH\[LetterSpace]KPDHpyr + cpyr[t]^vPDH\[LetterSpace]nPDH), vPEP -> cytosol*vPEP\[LetterSpace]mu*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*vPG\[LetterSpace]mu*cpg[t], vPG3 -> cytosol*vPG3\[LetterSpace]mu*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*vPGP\[LetterSpace]mu*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*vRIB5P\[LetterSpace]mu*crib5p[t], vRibu5p -> cytosol*vRibu5p\[LetterSpace]mu*cribu5p[t], vRu5P -> cytosol*vRu5P\[LetterSpace]rmaxRu5P*(cribu5p[t] - cxyl5p[t]/vRu5P\[LetterSpace]KRu5Peq), vSED7P -> cytosol*vSED7P\[LetterSpace]mu*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*vXYL5P\[LetterSpace]mu*cxyl5p[t], vf6P -> cytosol*vf6P\[LetterSpace]mu*cf6p[t], vfdP -> cytosol*vfdP\[LetterSpace]mu*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*vpg2\[LetterSpace]mu*cpg2[t], vpyr -> cytosol*vpyr\[LetterSpace]mu*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 = { 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 -> 0.00043711, 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 -> 6.059531017, vPDH\[LetterSpace]nPDH -> 3.68, vPDH\[LetterSpace]KPDHpyr -> 1159.0, 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, vG6P\[LetterSpace]mu -> 2.78*^-05, vf6P\[LetterSpace]mu -> 2.78*^-05, vfdP\[LetterSpace]mu -> 2.78*^-05, vGAP\[LetterSpace]mu -> 2.78*^-05, vDHAP\[LetterSpace]mu -> 2.78*^-05, vPGP\[LetterSpace]mu -> 2.78*^-05, vPG3\[LetterSpace]mu -> 2.78*^-05, vpg2\[LetterSpace]mu -> 2.78*^-05, vPEP\[LetterSpace]mu -> 2.78*^-05, vRibu5p\[LetterSpace]mu -> 2.78*^-05, vRIB5P\[LetterSpace]mu -> 2.78*^-05, vXYL5P\[LetterSpace]mu -> 2.78*^-05, vSED7P\[LetterSpace]mu -> 2.78*^-05, vpyr\[LetterSpace]mu -> 2.78*^-05, vPG\[LetterSpace]mu -> 2.78*^-05, vE4P\[LetterSpace]mu -> 2.78*^-05, vGLP\[LetterSpace]mu -> 2.78*^-05, vEXTER\[LetterSpace]Dil -> 2.78*^-05, vEXTER\[LetterSpace]cfeed -> 110.96, cytosol -> 1.0, extracellular -> 1.0 }; assignments = { cnad -> 1.314 + 1.314*2.73^(-0.342 - 0.0435*t) - (2.73^(-0.171 - 0.0218*t)*(7.871 + t))/(8.481 + t), cnadh -> 0.0934 + (0.00111*(0.844*t + 0.104*t^3))/2.371^(0.123*t), cnadp -> 0.159 + 0.182/(4.82 + 0.526*t) - (0.00554*t)/(2.8 - 0.271*t + 0.01*t^2), cnadph -> 0.062 + (0.332*(0.0166*t^1.58 + 0.000166*t^4.73 + 1.3120000000000002*^-10*t^7.89 + 1.362*^-13*t^11 + 1.2330000000000003*^-16*t^14.2))/2.718^(0.464*t), camp -> 0.123 + 1.073/(1.29 + 8.05*t) + (7.25*t)/(7.25 + 1.47*t + 0.17*t^2), cadp -> 0.582 + (1.73*(0.12*t + 0.000214*t^3))/2.731^(0.15*t), catp -> 4.27 - (4.163*t)/(0.657 + 1.43*t + 0.0364*t^2) }; events = { }; speciesAnnotations = { cdhap[t]->"http://identifiers.org/chebi/CHEBI:16108", cdhap[t]->"http://identifiers.org/kegg.compound/C00111", ce4p[t]->"http://identifiers.org/chebi/CHEBI:48153", ce4p[t]->"http://identifiers.org/kegg.compound/C00279", cf6p[t]->"http://identifiers.org/kegg.compound/C05345", cf6p[t]->"http://identifiers.org/chebi/CHEBI:16084", cf6p[t]->"http://identifiers.org/kegg.compound/C00085", cf6p[t]->"http://identifiers.org/chebi/CHEBI:15946", cfdp[t]->"http://identifiers.org/chebi/CHEBI:16905", cfdp[t]->"http://identifiers.org/kegg.compound/C00354", cg1p[t]->"http://identifiers.org/chebi/CHEBI:16077", cg1p[t]->"http://identifiers.org/kegg.compound/C00103", cg6p[t]->"http://identifiers.org/chebi/CHEBI:17665", cg6p[t]->"http://identifiers.org/kegg.compound/C00668", cgap[t]->"http://identifiers.org/chebi/CHEBI:17138", cgap[t]->"http://identifiers.org/kegg.compound/C00661", cglcex[t]->"http://identifiers.org/chebi/CHEBI:4167", cglcex[t]->"http://identifiers.org/kegg.compound/C00031", cglcex[t]->"http://identifiers.org/chebi/CHEBI:17234", cglcex[t]->"http://identifiers.org/kegg.compound/C00293", cpep[t]->"http://identifiers.org/chebi/CHEBI:18021", cpep[t]->"http://identifiers.org/kegg.compound/C00074", cpg[t]->"http://identifiers.org/chebi/CHEBI:16863", cpg[t]->"http://identifiers.org/kegg.compound/C00345", cpg2[t]->"http://identifiers.org/chebi/CHEBI:17835", cpg2[t]->"http://identifiers.org/kegg.compound/C00631", cpg3[t]->"http://identifiers.org/chebi/CHEBI:17794", cpg3[t]->"http://identifiers.org/kegg.compound/C00197", cpgp[t]->"http://identifiers.org/chebi/CHEBI:16001", cpgp[t]->"http://identifiers.org/kegg.compound/C00236", cpyr[t]->"http://identifiers.org/chebi/CHEBI:15361", cpyr[t]->"http://identifiers.org/kegg.compound/C00022", crib5p[t]->"http://identifiers.org/chebi/CHEBI:17797", crib5p[t]->"http://identifiers.org/kegg.compound/C00117", cribu5p[t]->"http://identifiers.org/chebi/CHEBI:17363", cribu5p[t]->"http://identifiers.org/kegg.compound/C00199", csed7p[t]->"http://identifiers.org/chebi/CHEBI:15721", csed7p[t]->"http://identifiers.org/kegg.compound/C00281", cxyl5p[t]->"http://identifiers.org/chebi/CHEBI:16332", cxyl5p[t]->"http://identifiers.org/kegg.compound/C00231" }; reactionAnnotations = { vDAHPS->"http://identifiers.org/kegg.reaction/R01826", vDAHPS->"http://identifiers.org/ec-code/2.5.1.54", vG1PAT->"http://identifiers.org/kegg.reaction/R00948", vG1PAT->"http://identifiers.org/ec-code/2.7.7.27", vPPK->"http://identifiers.org/kegg.reaction/R01049", vPPK->"http://identifiers.org/ec-code/2.7.6.1", vPPK->"http://identifiers.org/reactome/REACT\[LetterSpace]2023", vPTS->"http://identifiers.org/kegg.pathway/eco02060", vRu5P->"http://identifiers.org/kegg.reaction/R01529", vRu5P->"http://identifiers.org/ec-code/5.1.3.1", vRu5P->"http://identifiers.org/reactome/REACT\[LetterSpace]1522", vpepCxylase->"http://identifiers.org/kegg.reaction/R00345", vpepCxylase->"http://identifiers.org/ec-code/4.1.1.31" }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { 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] == 65.0*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 -65.0*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] == 65.0*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, cxyl5p'[t] == 1.0*vRu5P -1.0*vTKA -1.0*vTKB -1.0*vXYL5P }; 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]}]