begin name chassagnole2 end name begin reactions vALDO {1.0}cfdp = {1.0}cdhap + {1.0}cgap vDAHPS {1.0}ce4p + {1.0}cpep = {1.0}$EXTERNAL vDHAP {1.0}cdhap = {1.0}$EXTERNAL vE4P {1.0}ce4p = {1.0}$EXTERNAL vENO {1.0}cpg2 = {1.0}cpep vEXTER {1.0}$EXTERNAL = {1.0}cglcex vG1PAT {1.0}cg1p = {1.0}$EXTERNAL vG3PDH {1.0}cdhap = {1.0}$EXTERNAL vG6P {1.0}cg6p = {1.0}$EXTERNAL vG6PDH {1.0}cg6p = {1.0}cpg vGAP {1.0}cgap = {1.0}$EXTERNAL vGAPDH {1.0}cgap = {1.0}cpgp vGLP {1.0}cg1p = {1.0}$EXTERNAL vMURSyNTH {2.0}cf6p = {1.0}$EXTERNAL vMethSynth {1.0}$EXTERNAL = {1.0}cpyr vPDH {1.0}cpyr = {1.0}$EXTERNAL vPEP {1.0}cpep = {1.0}$EXTERNAL vPFK {1.0}cf6p = {1.0}cfdp vPG {1.0}cpg = {1.0}$EXTERNAL vPG3 {1.0}cpg3 = {1.0}$EXTERNAL vPGDH {1.0}cpg = {1.0}cribu5p vPGI {1.0}cg6p = {1.0}cf6p vPGK {1.0}cpgp = {1.0}cpg3 vPGM {1.0}cg6p = {1.0}cg1p vPGP {1.0}cpgp = {1.0}$EXTERNAL vPK {1.0}cpep = {1.0}cpyr vPPK {1.0}crib5p = {1.0}$EXTERNAL vPTS {1.0}cglcex + {65.0}cpep = {65.0}cg6p + {65.0}cpyr vR5PI {1.0}cribu5p = {1.0}crib5p vRIB5P {1.0}crib5p = {1.0}$EXTERNAL vRibu5p {1.0}cribu5p = {1.0}$EXTERNAL vRu5P {1.0}cribu5p = {1.0}cxyl5p vSED7P {1.0}csed7p = {1.0}$EXTERNAL vSynth1 {1.0}cpep = {1.0}$EXTERNAL vSynth2 {1.0}cpyr = {1.0}$EXTERNAL vTA {1.0}cgap + {1.0}csed7p = {1.0}cf6p + {1.0}ce4p vTIS {1.0}cdhap = {1.0}cgap vTKA {1.0}crib5p + {1.0}cxyl5p = {1.0}cgap + {1.0}csed7p vTKB {1.0}ce4p + {1.0}cxyl5p = {1.0}cgap + {1.0}cf6p vTRPSYNTH {1.0}$EXTERNAL = {1.0}cpyr + {1.0}cgap vXYL5P {1.0}cxyl5p = {1.0}$EXTERNAL vf6P {1.0}cf6p = {1.0}$EXTERNAL vfdP {1.0}cfdp = {1.0}$EXTERNAL vpepCxylase {1.0}cpep = {1.0}$EXTERNAL vpg2 {1.0}cpg2 = {1.0}$EXTERNAL vpyr {1.0}cpyr = {1.0}$EXTERNAL vrpGluMu {1.0}cpg3 = {1.0}cpg2 vsersynth {1.0}cpg3 = {1.0}$EXTERNAL end reactions begin rate equations vALDO = (cytosol*vALDOrmaxALDO*(cfdp[t] - (cdhap[t]*cgap[t])/vALDOkALDOeq))/(vALDOkALDOfdp + (vALDOkALDOgap*cdhap[t])/(vALDOkALDOeq*vALDOVALDOblf) + cfdp[t] + (vALDOkALDOdhap*cgap[t])/(vALDOkALDOeq*vALDOVALDOblf) + (cdhap[t]*cgap[t])/(vALDOkALDOeq*vALDOVALDOblf) + (cfdp[t]*cgap[t])/vALDOkALDOgapinh) vDAHPS = (cytosol*vDAHPSrmaxDAHPS*ce4p[t]^vDAHPSnDAHPSe4p*cpep[t]^vDAHPSnDAHPSpep)/((vDAHPSKDAHPSe4p + ce4p[t]^vDAHPSnDAHPSe4p)*(vDAHPSKDAHPSpep + cpep[t]^vDAHPSnDAHPSpep)) vDHAP = cytosol*vDHAPmu*cdhap[t] vE4P = cytosol*vE4Pmu*ce4p[t] vENO = (cytosol*vENOrmaxENO*(-(cpep[t]/vENOKENOeq) + cpg2[t]))/(vENOKENOpg2*(1 + cpep[t]/vENOKENOpep) + cpg2[t]) vEXTER = extracellular*vEXTERDil*(vEXTERcfeed - cglcex[t]) vG1PAT = (catp*cytosol*vG1PATrmaxG1PAT*(1 + (cfdp[t]/vG1PATKG1PATfdp)^vG1PATnG1PATfdp)*cg1p[t])/((catp + vG1PATKG1PATatp)*(vG1PATKG1PATg1p + cg1p[t])) vG3PDH = (cytosol*vG3PDHrmaxG3PDH*cdhap[t])/(vG3PDHKG3PDHdhap + cdhap[t]) vG6P = cytosol*vG6Pmu*cg6p[t] vG6PDH = (cnadp*cytosol*vG6PDHrmaxG6PDH*cg6p[t])/((1 + cnadph/vG6PDHKG6PDHnadphg6pinh)*(cnadp + vG6PDHKG6PDHnadp*(1 + cnadph/vG6PDHKG6PDHnadphnadpinh))*(vG6PDHKG6PDHg6p + cg6p[t])) vGAP = cytosol*vGAPmu*cgap[t] vGAPDH = (cytosol*vGAPDHrmaxGAPDH*(cnad*cgap[t] - (cnadh*cpgp[t])/vGAPDHKGAPDHeq))/((cnad + vGAPDHKGAPDHnad*(1 + cnadh/vGAPDHKGAPDHnadh))*(cgap[t] + vGAPDHKGAPDHgap*(1 + cpgp[t]/vGAPDHKGAPDHpgp))) vGLP = cytosol*vGLPmu*cg1p[t] vMURSyNTH = cytosol*vMURSyNTHrmaxMurSynth vMethSynth = cytosol*vMethSynthrmaxMetSynth vPDH = (cytosol*vPDHrmaxPDH*cpyr[t]^vPDHnPDH)/(vPDHKPDHpyr + cpyr[t]^vPDHnPDH) vPEP = cytosol*vPEPmu*cpep[t] vPFK = (catp*cytosol*vPFKrmaxPFK*cf6p[t])/((catp + (1 + cadp/vPFKKPFKadpc)*vPFKKPFKatps)*(cf6p[t] + (vPFKKPFKf6ps*(1 + cadp/vPFKKPFKadpb + camp/vPFKKPFKampb + cpep[t]/vPFKKPFKpep))/(1 + cadp/vPFKKPFKadpa + camp/vPFKKPFKampa))*(1 + vPFKLPFK/(1 + ((1 + cadp/vPFKKPFKadpa + camp/vPFKKPFKampa)*cf6p[t])/(vPFKKPFKf6ps*(1 + cadp/vPFKKPFKadpb + camp/vPFKKPFKampb + cpep[t]/vPFKKPFKpep)))^vPFKnPFK)) vPG = cytosol*vPGmu*cpg[t] vPG3 = cytosol*vPG3mu*cpg3[t] vPGDH = (cnadp*cytosol*vPGDHrmaxPGDH*cpg[t])/((cnadp + (1 + catp/vPGDHKPGDHatpinh)*vPGDHKPGDHnadp*(1 + cnadph/vPGDHKPGDHnadphinh))*(vPGDHKPGDHpg + cpg[t])) vPGI = (cytosol*vPGIrmaxPGI*(-(cf6p[t]/vPGIKPGIeq) + cg6p[t]))/(cg6p[t] + vPGIKPGIg6p*(1 + cpg[t]/vPGIKPGIg6ppginh + cf6p[t]/(vPGIKPGIf6p*(1 + cpg[t]/vPGIKPGIf6ppginh)))) vPGK = (cytosol*vPGKrmaxPGK*(-((catp*cpg3[t])/vPGKKPGKeq) + cadp*cpgp[t]))/((cadp + vPGKKPGKadp*(1 + catp/vPGKKPGKatp))*(vPGKKPGKpgp*(1 + cpg3[t]/vPGKKPGKpg3) + cpgp[t])) vPGM = (cytosol*vPGMrmaxPGM*(-(cg1p[t]/vPGMKPGMeq) + cg6p[t]))/(vPGMKPGMg6p*(1 + cg1p[t]/vPGMKPGMg1p) + cg6p[t]) vPGP = cytosol*vPGPmu*cpgp[t] vPK = (cadp*cytosol*vPKrmaxPK*cpep[t]*(1 + cpep[t]/vPKKPKpep)^(-1 + vPKnPK))/((cadp + vPKKPKadp)*vPKKPKpep*(vPKLPK*((1 + catp/vPKKPKatp)/(1 + camp/vPKKPKamp + cfdp[t]/vPKKPKfdp))^vPKnPK + (1 + cpep[t]/vPKKPKpep)^vPKnPK)) vPPK = (cytosol*vPPKrmaxRPPK*crib5p[t])/(vPPKKRPPKrib5p + crib5p[t]) vPTS = (extracellular*vPTSrmaxPTS*cglcex[t]*cpep[t])/((1 + cg6p[t]^vPTSnPTSg6p/vPTSKPTSg6p)*(vPTSKPTSa1 + vPTSKPTSa3*cglcex[t] + (vPTSKPTSa2*cpep[t])/cpyr[t] + (cglcex[t]*cpep[t])/cpyr[t])*cpyr[t]) vR5PI = cytosol*vR5PIrmaxR5PI*(-(crib5p[t]/vR5PIKR5PIeq) + cribu5p[t]) vRIB5P = cytosol*vRIB5Pmu*crib5p[t] vRibu5p = cytosol*vRibu5pmu*cribu5p[t] vRu5P = cytosol*vRu5PrmaxRu5P*(cribu5p[t] - cxyl5p[t]/vRu5PKRu5Peq) vSED7P = cytosol*vSED7Pmu*csed7p[t] vSynth1 = (cytosol*vSynth1rmaxSynth1*cpep[t])/(vSynth1KSynth1pep + cpep[t]) vSynth2 = (cytosol*vSynth2rmaxSynth2*cpyr[t])/(vSynth2KSynth2pyr + cpyr[t]) vTA = cytosol*vTArmaxTA*(-((ce4p[t]*cf6p[t])/vTAKTAeq) + cgap[t]*csed7p[t]) vTIS = (cytosol*vTISrmaxTIS*(cdhap[t] - cgap[t]/vTISkTISeq))/(cdhap[t] + vTISkTISdhap*(1 + cgap[t]/vTISkTISgap)) vTKA = cytosol*vTKArmaxTKa*(-((cgap[t]*csed7p[t])/vTKAKTKaeq) + crib5p[t]*cxyl5p[t]) vTKB = cytosol*vTKBrmaxTKb*(-((cf6p[t]*cgap[t])/vTKBKTKbeq) + ce4p[t]*cxyl5p[t]) vTRPSYNTH = cytosol*vTRPSYNTHrmaxTrpSynth vXYL5P = cytosol*vXYL5Pmu*cxyl5p[t] vf6P = cytosol*vf6Pmu*cf6p[t] vfdP = cytosol*vfdPmu*cfdp[t] vpepCxylase = (cytosol*vpepCxylasermaxpepCxylase*(1 + (cfdp[t]/vpepCxylaseKpepCxylasefdp)^vpepCxylasenpepCxylasefdp)*cpep[t])/(vpepCxylaseKpepCxylasepep + cpep[t]) vpg2 = cytosol*vpg2mu*cpg2[t] vpyr = cytosol*vpyrmu*cpyr[t] vrpGluMu = (cytosol*vrpGluMurmaxPGluMu*(-(cpg2[t]/vrpGluMuKPGluMueq) + cpg3[t]))/(vrpGluMuKPGluMupg3*(1 + cpg2[t]/vrpGluMuKPGluMupg2) + cpg3[t]) vsersynth = (cytosol*vsersynthrmaxSerSynth*cpg3[t])/(vsersynthKSerSynthpg3 + cpg3[t]) end rate equations begin parameters vPTSrmaxPTS = 7829.78 vPTSKPTSa1 = 3082.3 vPTSKPTSa2 = 0.01 vPTSKPTSa3 = 245.3 vPTSnPTSg6p = 3.66 vPTSKPTSg6p = 2.15 vPGIrmaxPGI = 650.9878687 vPGIKPGIeq = 0.1725 vPGIKPGIg6p = 2.9 vPGIKPGIf6p = 0.266 vPGIKPGIf6ppginh = 0.2 vPGIKPGIg6ppginh = 0.2 vPGMrmaxPGM = 0.8398242773 vPGMKPGMeq = 0.196 vPGMKPGMg6p = 1.038 vPGMKPGMg1p = 0.0136 vG6PDHrmaxG6PDH = 1.380196955 vG6PDHKG6PDHg6p = 14.4 vG6PDHKG6PDHnadphg6pinh = 6.43 vG6PDHKG6PDHnadp = 0.0246 vG6PDHKG6PDHnadphnadpinh = 0.01 vPFKrmaxPFK = 1840.584747 vPFKKPFKatps = 0.123 vPFKKPFKadpc = 4.14 vPFKKPFKf6ps = 0.325 vPFKKPFKpep = 3.26 vPFKKPFKadpb = 3.89 vPFKKPFKampb = 3.2 vPFKKPFKadpa = 128.0 vPFKKPFKampa = 19.1 vPFKLPFK = 5629067.0 vPFKnPFK = 11.1 vTArmaxTA = 10.87164108 vTAKTAeq = 1.05 vTKArmaxTKa = 9.473384783 vTKAKTKaeq = 1.2 vTKBrmaxTKb = 86.55855855 vTKBKTKbeq = 10.0 vMURSyNTHrmaxMurSynth = 0.00043711 vALDOrmaxALDO = 17.41464425 vALDOkALDOeq = 0.144 vALDOkALDOfdp = 1.75 vALDOkALDOgap = 0.088 vALDOVALDOblf = 2.0 vALDOkALDOdhap = 0.088 vALDOkALDOgapinh = 0.6 vGAPDHrmaxGAPDH = 921.5942861 vGAPDHKGAPDHeq = 0.63 vGAPDHKGAPDHgap = 0.683 vGAPDHKGAPDHpgp = "1.04e-05" vGAPDHKGAPDHnad = 0.252 vGAPDHKGAPDHnadh = 1.09 vTISrmaxTIS = 68.67474392 vTISkTISeq = 1.39 vTISkTISdhap = 2.8 vTISkTISgap = 0.3 vTRPSYNTHrmaxTrpSynth = 0.001037 vG3PDHrmaxG3PDH = 0.01162042696 vG3PDHKG3PDHdhap = 1.0 vPGKrmaxPGK = 3021.773771 vPGKKPGKeq = 1934.4 vPGKKPGKadp = 0.185 vPGKKPGKatp = 0.653 vPGKKPGKpgp = 0.0468 vPGKKPGKpg3 = 0.473 vsersynthrmaxSerSynth = 0.025712107 vsersynthKSerSynthpg3 = 1.0 vrpGluMurmaxPGluMu = 89.04965407 vrpGluMuKPGluMueq = 0.188 vrpGluMuKPGluMupg3 = 0.2 vrpGluMuKPGluMupg2 = 0.369 vENOrmaxENO = 330.4476151 vENOKENOeq = 6.73 vENOKENOpg2 = 0.1 vENOKENOpep = 0.135 vPKrmaxPK = 0.06113150238 vPKKPKpep = 0.31 vPKnPK = 4.0 vPKLPK = 1000.0 vPKKPKatp = 22.5 vPKKPKfdp = 0.19 vPKKPKamp = 0.2 vPKKPKadp = 0.26 vpepCxylasermaxpepCxylase = 0.1070205858 vpepCxylaseKpepCxylasefdp = 0.7 vpepCxylasenpepCxylasefdp = 4.21 vpepCxylaseKpepCxylasepep = 4.07 vSynth1rmaxSynth1 = 0.01953897003 vSynth1KSynth1pep = 1.0 vSynth2rmaxSynth2 = 0.07361855055 vSynth2KSynth2pyr = 1.0 vDAHPSrmaxDAHPS = 0.1079531227 vDAHPSnDAHPSe4p = 2.6 vDAHPSnDAHPSpep = 2.2 vDAHPSKDAHPSe4p = 0.035 vDAHPSKDAHPSpep = 0.0053 vPDHrmaxPDH = 6.059531017 vPDHnPDH = 3.68 vPDHKPDHpyr = 1159.0 vMethSynthrmaxMetSynth = 0.0022627 vPGDHrmaxPGDH = 16.23235977 vPGDHKPGDHpg = 37.5 vPGDHKPGDHnadp = 0.0506 vPGDHKPGDHnadphinh = 0.0138 vPGDHKPGDHatpinh = 208.0 vR5PIrmaxR5PI = 4.83841193 vR5PIKR5PIeq = 4.0 vRu5PrmaxRu5P = 6.739029475 vRu5PKRu5Peq = 1.4 vPPKrmaxRPPK = 0.01290045226 vPPKKRPPKrib5p = 0.1 vG1PATrmaxG1PAT = 0.007525458026 vG1PATKG1PATfdp = 0.119 vG1PATnG1PATfdp = 1.2 vG1PATKG1PATatp = 4.42 vG1PATKG1PATg1p = 3.2 vG6Pmu = "2.78e-05" vf6Pmu = "2.78e-05" vfdPmu = "2.78e-05" vGAPmu = "2.78e-05" vDHAPmu = "2.78e-05" vPGPmu = "2.78e-05" vPG3mu = "2.78e-05" vpg2mu = "2.78e-05" vPEPmu = "2.78e-05" vRibu5pmu = "2.78e-05" vRIB5Pmu = "2.78e-05" vXYL5Pmu = "2.78e-05" vSED7Pmu = "2.78e-05" vpyrmu = "2.78e-05" vPGmu = "2.78e-05" vE4Pmu = "2.78e-05" vGLPmu = "2.78e-05" vEXTERDil = "2.78e-05" vEXTERcfeed = 110.96 cytosol = 1.0 extracellular = 1.0 end parameters begin initial conditions cdhap[0] = cdhapi ce4p[0] = ce4pi cf6p[0] = cf6pi cfdp[0] = cfdpi cg1p[0] = cg1pi cg6p[0] = cg6pi cgap[0] = cgapi cglcex[0] = cglcexi cpep[0] = cpepi cpg[0] = cpgi cpg2[0] = cpg2i cpg3[0] = cpg3i cpgp[0] = cpgpi cpyr[0] = cpyri crib5p[0] = crib5pi cribu5p[0] = cribu5pi csed7p[0] = csed7pi cxyl5p[0] = cxyl5pi end initial conditions begin initial values cdhapi = 0.167 ce4pi = 0.098 cf6pi = 0.6 cfdpi = 0.272 cg1pi = 0.653 cg6pi = 3.48 cgapi = 0.218 cglcexi = 2.0 cpepi = 2.67 cpgi = 0.808 cpg2i = 0.399 cpg3i = 2.13 cpgpi = 0.008 cpyri = 2.67 crib5pi = 0.398 cribu5pi = 0.111 csed7pi = 0.276 cxyl5pi = 0.138 end initial values begin assignment rules 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) end assignment rules begin function definitions end function definitions begin events end events begin process annotations 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_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_1522 vpepCxylase http://identifiers.org/kegg.reaction/R00345 vpepCxylase http://identifiers.org/ec-code/4.1.1.31 end process annotations begin species annotations cdhap http://identifiers.org/chebi/CHEBI:16108 cdhap http://identifiers.org/kegg.compound/C00111 ce4p http://identifiers.org/chebi/CHEBI:48153 ce4p http://identifiers.org/kegg.compound/C00279 cf6p http://identifiers.org/kegg.compound/C05345 cf6p http://identifiers.org/chebi/CHEBI:16084 cf6p http://identifiers.org/kegg.compound/C00085 cf6p http://identifiers.org/chebi/CHEBI:15946 cfdp http://identifiers.org/chebi/CHEBI:16905 cfdp http://identifiers.org/kegg.compound/C00354 cg1p http://identifiers.org/chebi/CHEBI:16077 cg1p http://identifiers.org/kegg.compound/C00103 cg6p http://identifiers.org/chebi/CHEBI:17665 cg6p http://identifiers.org/kegg.compound/C00668 cgap http://identifiers.org/chebi/CHEBI:17138 cgap http://identifiers.org/kegg.compound/C00661 cglcex http://identifiers.org/chebi/CHEBI:4167 cglcex http://identifiers.org/kegg.compound/C00031 cglcex http://identifiers.org/chebi/CHEBI:17234 cglcex http://identifiers.org/kegg.compound/C00293 cpep http://identifiers.org/chebi/CHEBI:18021 cpep http://identifiers.org/kegg.compound/C00074 cpg http://identifiers.org/chebi/CHEBI:16863 cpg http://identifiers.org/kegg.compound/C00345 cpg2 http://identifiers.org/chebi/CHEBI:17835 cpg2 http://identifiers.org/kegg.compound/C00631 cpg3 http://identifiers.org/chebi/CHEBI:17794 cpg3 http://identifiers.org/kegg.compound/C00197 cpgp http://identifiers.org/chebi/CHEBI:16001 cpgp http://identifiers.org/kegg.compound/C00236 cpyr http://identifiers.org/chebi/CHEBI:15361 cpyr http://identifiers.org/kegg.compound/C00022 crib5p http://identifiers.org/chebi/CHEBI:17797 crib5p http://identifiers.org/kegg.compound/C00117 cribu5p http://identifiers.org/chebi/CHEBI:17363 cribu5p http://identifiers.org/kegg.compound/C00199 csed7p http://identifiers.org/chebi/CHEBI:15721 csed7p http://identifiers.org/kegg.compound/C00281 cxyl5p http://identifiers.org/chebi/CHEBI:16332 cxyl5p http://identifiers.org/kegg.compound/C00231 end species annotations begin units end units