(* 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 = { ADP[t], AMP[t], ATP[t], AcAld[t], BPG[t], DHAP[t], F16bP[t], F6P[t], G6P[t], GAP[t], GLCi[t], NAD[t], NADH[t], P2G[t], P3G[t], PEP[t], PYR[t] }; initialValues = { ADP[0] == 1.28198768168719, AMP[0] == 0.292884853320091, ATP[0] == 2.52512746499271, AcAld[0] == 0.178140579850657, BPG[0] == 0.000736873499865602, DHAP[0] == 1.00415254899644, F16bP[0] == 6.22132076069411, F6P[0] == 0.624976405532373, G6P[0] == 2.67504014044787, GAP[0] == 0.0451809175780963, GLCi[0] == 0.097652231064563, NAD[0] == 1.50329030201531, NADH[0] == 0.0867096979846952, P2G[0] == 0.127695817386632, P3G[0] == 0.885688538360659, PEP[0] == 0.0632352144936527, PYR[0] == 1.81531251192736 }; rates = { ADH, AK, ALD, ATPase, ENO, G3PDH, GAPDH, Glycogen\[LetterSpace]Branch, HK, HXT, PDC, PFK, PGI, PGK, PGM, PYK, Succinate\[LetterSpace]Branch, TPI, Trehalose\[LetterSpace]Branch }; rateEquations = { ADH -> (ADH\[LetterSpace]Vmax\[LetterSpace]13*cell*((EtOH*NAD[t])/(ADH\[LetterSpace]Ketoh\[LetterSpace]13*ADH\[LetterSpace]Kinad\[LetterSpace]13) - (AcAld[t]*NADH[t])/(ADH\[LetterSpace]Keq\[LetterSpace]13*ADH\[LetterSpace]Ketoh\[LetterSpace]13*ADH\[LetterSpace]Kinad\[LetterSpace]13)))/(1 + (ADH\[LetterSpace]Knad\[LetterSpace]13*EtOH)/(ADH\[LetterSpace]Ketoh\[LetterSpace]13*ADH\[LetterSpace]Kinad\[LetterSpace]13) + (ADH\[LetterSpace]Knadh\[LetterSpace]13*AcAld[t])/(ADH\[LetterSpace]Kacald\[LetterSpace]13*ADH\[LetterSpace]Kinadh\[LetterSpace]13) + NAD[t]/ADH\[LetterSpace]Kinad\[LetterSpace]13 + (EtOH*NAD[t])/(ADH\[LetterSpace]Ketoh\[LetterSpace]13*ADH\[LetterSpace]Kinad\[LetterSpace]13) + (ADH\[LetterSpace]Knadh\[LetterSpace]13*AcAld[t]*NAD[t])/(ADH\[LetterSpace]Kacald\[LetterSpace]13*ADH\[LetterSpace]Kinadh\[LetterSpace]13*ADH\[LetterSpace]Kinad\[LetterSpace]13) + (EtOH*AcAld[t]*NAD[t])/(ADH\[LetterSpace]Ketoh\[LetterSpace]13*ADH\[LetterSpace]Kiacald\[LetterSpace]13*ADH\[LetterSpace]Kinad\[LetterSpace]13) + NADH[t]/ADH\[LetterSpace]Kinadh\[LetterSpace]13 + (ADH\[LetterSpace]Knad\[LetterSpace]13*EtOH*NADH[t])/(ADH\[LetterSpace]Ketoh\[LetterSpace]13*ADH\[LetterSpace]Kinadh\[LetterSpace]13*ADH\[LetterSpace]Kinad\[LetterSpace]13) + (AcAld[t]*NADH[t])/(ADH\[LetterSpace]Kacald\[LetterSpace]13*ADH\[LetterSpace]Kinadh\[LetterSpace]13) + (EtOH*AcAld[t]*NADH[t])/(ADH\[LetterSpace]Kacald\[LetterSpace]13*ADH\[LetterSpace]Kietoh\[LetterSpace]13*ADH\[LetterSpace]Kinadh\[LetterSpace]13)), AK -> cell*(AK\[LetterSpace]k1\[LetterSpace]15*ADP[t]^2 - AK\[LetterSpace]k2\[LetterSpace]15*AMP[t]*ATP[t]), ALD -> (ALD\[LetterSpace]Vmax\[LetterSpace]5*cell*(F16bP[t]/ALD\[LetterSpace]Kf16bp\[LetterSpace]5 - (DHAP[t]*GAP[t])/(ALD\[LetterSpace]Keq\[LetterSpace]5*ALD\[LetterSpace]Kf16bp\[LetterSpace]5)))/(1 + DHAP[t]/ALD\[LetterSpace]Kdhap\[LetterSpace]5 + F16bP[t]/ALD\[LetterSpace]Kf16bp\[LetterSpace]5 + GAP[t]/ALD\[LetterSpace]Kgap\[LetterSpace]5 + (DHAP[t]*GAP[t])/(ALD\[LetterSpace]Kdhap\[LetterSpace]5*ALD\[LetterSpace]Kgap\[LetterSpace]5) + (F16bP[t]*GAP[t])/(ALD\[LetterSpace]Kf16bp\[LetterSpace]5*ALD\[LetterSpace]Kigap\[LetterSpace]5)), ATPase -> ATPase\[LetterSpace]Katpase\[LetterSpace]14*cell*ATP[t], ENO -> (cell*ENO\[LetterSpace]Vmax\[LetterSpace]10*(P2G[t]/ENO\[LetterSpace]Kp2g\[LetterSpace]10 - PEP[t]/(ENO\[LetterSpace]Keq\[LetterSpace]10*ENO\[LetterSpace]Kp2g\[LetterSpace]10)))/(1 + P2G[t]/ENO\[LetterSpace]Kp2g\[LetterSpace]10 + PEP[t]/ENO\[LetterSpace]Kpep\[LetterSpace]10), G3PDH -> (cell*G3PDH\[LetterSpace]Vmax\[LetterSpace]16*(-((Glycerol*NAD[t])/(G3PDH\[LetterSpace]Kdhap\[LetterSpace]16*G3PDH\[LetterSpace]Keq\[LetterSpace]16*G3PDH\[LetterSpace]Knadh\[LetterSpace]16)) + (DHAP[t]*NADH[t])/(G3PDH\[LetterSpace]Kdhap\[LetterSpace]16*G3PDH\[LetterSpace]Knadh\[LetterSpace]16)))/((1 + Glycerol/G3PDH\[LetterSpace]Kglycerol\[LetterSpace]16 + DHAP[t]/G3PDH\[LetterSpace]Kdhap\[LetterSpace]16)*(1 + NAD[t]/G3PDH\[LetterSpace]Knad\[LetterSpace]16 + NADH[t]/G3PDH\[LetterSpace]Knadh\[LetterSpace]16)), GAPDH -> (cell*GAPDH\[LetterSpace]C\[LetterSpace]7*((GAPDH\[LetterSpace]Vmaxf\[LetterSpace]7*GAP[t]*NAD[t])/(GAPDH\[LetterSpace]Kgap\[LetterSpace]7*GAPDH\[LetterSpace]Knad\[LetterSpace]7) - (GAPDH\[LetterSpace]Vmaxr\[LetterSpace]7*BPG[t]*NADH[t])/(GAPDH\[LetterSpace]Kbpg\[LetterSpace]7*GAPDH\[LetterSpace]Knadh\[LetterSpace]7)))/((1 + BPG[t]/GAPDH\[LetterSpace]Kbpg\[LetterSpace]7 + GAP[t]/GAPDH\[LetterSpace]Kgap\[LetterSpace]7)*(1 + NAD[t]/GAPDH\[LetterSpace]Knad\[LetterSpace]7 + NADH[t]/GAPDH\[LetterSpace]Knadh\[LetterSpace]7)), Glycogen\[LetterSpace]Branch -> cell*Glycogen\[LetterSpace]Branch\[LetterSpace]KGLYCOGEN\[LetterSpace]17, HK -> (cell*HK\[LetterSpace]Vmax\[LetterSpace]2*(-((ADP[t]*G6P[t])/(HK\[LetterSpace]Katp\[LetterSpace]2*HK\[LetterSpace]Keq\[LetterSpace]2*HK\[LetterSpace]Kglc\[LetterSpace]2)) + (ATP[t]*GLCi[t])/(HK\[LetterSpace]Katp\[LetterSpace]2*HK\[LetterSpace]Kglc\[LetterSpace]2)))/((1 + ADP[t]/HK\[LetterSpace]Kadp\[LetterSpace]2 + ATP[t]/HK\[LetterSpace]Katp\[LetterSpace]2)*(1 + G6P[t]/HK\[LetterSpace]Kg6p\[LetterSpace]2 + GLCi[t]/HK\[LetterSpace]Kglc\[LetterSpace]2)), HXT -> (HXT\[LetterSpace]Vmax\[LetterSpace]1*(GLCo - GLCi[t]))/(HXT\[LetterSpace]Kglc\[LetterSpace]1*(1 + (GLCo*HXT\[LetterSpace]Ki\[LetterSpace]1*GLCi[t])/HXT\[LetterSpace]Kglc\[LetterSpace]1^2 + (GLCo + GLCi[t])/HXT\[LetterSpace]Kglc\[LetterSpace]1)), PDC -> (cell*PDC\[LetterSpace]Vmax\[LetterSpace]12*(PYR[t]/PDC\[LetterSpace]Kpyr\[LetterSpace]12)^PDC\[LetterSpace]nH\[LetterSpace]12)/(1 + (PYR[t]/PDC\[LetterSpace]Kpyr\[LetterSpace]12)^PDC\[LetterSpace]nH\[LetterSpace]12), PFK -> (cell*PFK\[LetterSpace]gR\[LetterSpace]4*PFK\[LetterSpace]Vmax\[LetterSpace]4*ATP[t]*F6P[t]*(1 + ATP[t]/PFK\[LetterSpace]Katp\[LetterSpace]4 + F6P[t]/PFK\[LetterSpace]Kf6p\[LetterSpace]4 + (PFK\[LetterSpace]gR\[LetterSpace]4*ATP[t]*F6P[t])/(PFK\[LetterSpace]Katp\[LetterSpace]4*PFK\[LetterSpace]Kf6p\[LetterSpace]4)))/(PFK\[LetterSpace]Katp\[LetterSpace]4*PFK\[LetterSpace]Kf6p\[LetterSpace]4*((PFK\[LetterSpace]L0\[LetterSpace]4*(1 + (PFK\[LetterSpace]Camp\[LetterSpace]4*AMP[t])/PFK\[LetterSpace]Kamp\[LetterSpace]4)^2*(1 + (PFK\[LetterSpace]Catp\[LetterSpace]4*ATP[t])/PFK\[LetterSpace]Katp\[LetterSpace]4)^2*(1 + (PFK\[LetterSpace]Ciatp\[LetterSpace]4*ATP[t])/PFK\[LetterSpace]Kiatp\[LetterSpace]4)^2*(1 + (F26bP*PFK\[LetterSpace]Cf26\[LetterSpace]4)/PFK\[LetterSpace]Kf26\[LetterSpace]4 + (PFK\[LetterSpace]Cf16\[LetterSpace]4*F16bP[t])/PFK\[LetterSpace]Kf16\[LetterSpace]4)^2)/((1 + AMP[t]/PFK\[LetterSpace]Kamp\[LetterSpace]4)^2*(1 + ATP[t]/PFK\[LetterSpace]Kiatp\[LetterSpace]4)^2*(1 + F26bP/PFK\[LetterSpace]Kf26\[LetterSpace]4 + F16bP[t]/PFK\[LetterSpace]Kf16\[LetterSpace]4)^2) + (1 + ATP[t]/PFK\[LetterSpace]Katp\[LetterSpace]4 + F6P[t]/PFK\[LetterSpace]Kf6p\[LetterSpace]4 + (PFK\[LetterSpace]gR\[LetterSpace]4*ATP[t]*F6P[t])/(PFK\[LetterSpace]Katp\[LetterSpace]4*PFK\[LetterSpace]Kf6p\[LetterSpace]4))^2)), PGI -> (cell*PGI\[LetterSpace]Vmax\[LetterSpace]3*(-(F6P[t]/(PGI\[LetterSpace]Keq\[LetterSpace]3*PGI\[LetterSpace]Kg6p\[LetterSpace]3)) + G6P[t]/PGI\[LetterSpace]Kg6p\[LetterSpace]3))/(1 + F6P[t]/PGI\[LetterSpace]Kf6p\[LetterSpace]3 + G6P[t]/PGI\[LetterSpace]Kg6p\[LetterSpace]3), PGK -> (cell*PGK\[LetterSpace]Vmax\[LetterSpace]8*(PGK\[LetterSpace]Keq\[LetterSpace]8*ADP[t]*BPG[t] - ATP[t]*P3G[t]))/(PGK\[LetterSpace]Katp\[LetterSpace]8*PGK\[LetterSpace]Kp3g\[LetterSpace]8*(1 + ADP[t]/PGK\[LetterSpace]Kadp\[LetterSpace]8 + ATP[t]/PGK\[LetterSpace]Katp\[LetterSpace]8)*(1 + BPG[t]/PGK\[LetterSpace]Kbpg\[LetterSpace]8 + P3G[t]/PGK\[LetterSpace]Kp3g\[LetterSpace]8)), PGM -> (cell*PGM\[LetterSpace]Vmax\[LetterSpace]9*(-(P2G[t]/(PGM\[LetterSpace]Keq\[LetterSpace]9*PGM\[LetterSpace]Kp3g\[LetterSpace]9)) + P3G[t]/PGM\[LetterSpace]Kp3g\[LetterSpace]9))/(1 + P2G[t]/PGM\[LetterSpace]Kp2g\[LetterSpace]9 + P3G[t]/PGM\[LetterSpace]Kp3g\[LetterSpace]9), PYK -> (cell*PYK\[LetterSpace]Vmax\[LetterSpace]11*((ADP[t]*PEP[t])/(PYK\[LetterSpace]Kadp\[LetterSpace]11*PYK\[LetterSpace]Kpep\[LetterSpace]11) - (ATP[t]*PYR[t])/(PYK\[LetterSpace]Kadp\[LetterSpace]11*PYK\[LetterSpace]Keq\[LetterSpace]11*PYK\[LetterSpace]Kpep\[LetterSpace]11)))/((1 + ADP[t]/PYK\[LetterSpace]Kadp\[LetterSpace]11 + ATP[t]/PYK\[LetterSpace]Katp\[LetterSpace]11)*(1 + PEP[t]/PYK\[LetterSpace]Kpep\[LetterSpace]11 + PYR[t]/PYK\[LetterSpace]Kpyr\[LetterSpace]11)), Succinate\[LetterSpace]Branch -> cell*Succinate\[LetterSpace]Branch\[LetterSpace]k\[LetterSpace]19*AcAld[t], TPI -> cell*(TPI\[LetterSpace]k1\[LetterSpace]6*DHAP[t] - TPI\[LetterSpace]k2\[LetterSpace]6*GAP[t]), Trehalose\[LetterSpace]Branch -> cell*Trehalose\[LetterSpace]Branch\[LetterSpace]Ktrehalose\[LetterSpace]18 }; parameters = { CO2 -> 1.0, EtOH -> 50.0, F26bP -> 0.02, GLCo -> 2.0, Glycerol -> 0.15, Glycogen -> 0.0, Succinate -> 0.0, Trehalose -> 0.0, AK\[LetterSpace]k2\[LetterSpace]15 -> 100.0, G3PDH\[LetterSpace]Vmax\[LetterSpace]16 -> 47.11, G3PDH\[LetterSpace]Kdhap\[LetterSpace]16 -> 0.4, G3PDH\[LetterSpace]Knadh\[LetterSpace]16 -> 0.023, G3PDH\[LetterSpace]Keq\[LetterSpace]16 -> 4300.0, HXT\[LetterSpace]Vmax\[LetterSpace]1 -> 97.24, HXT\[LetterSpace]Kglc\[LetterSpace]1 -> 1.1918, HXT\[LetterSpace]Ki\[LetterSpace]1 -> 0.91, HK\[LetterSpace]Vmax\[LetterSpace]2 -> 236.7, HK\[LetterSpace]Kglc\[LetterSpace]2 -> 0.08, HK\[LetterSpace]Katp\[LetterSpace]2 -> 0.15, HK\[LetterSpace]Keq\[LetterSpace]2 -> 2000.0, HK\[LetterSpace]Kg6p\[LetterSpace]2 -> 30.0, HK\[LetterSpace]Kadp\[LetterSpace]2 -> 0.23, PGI\[LetterSpace]Vmax\[LetterSpace]3 -> 1056.0, PGI\[LetterSpace]Kg6p\[LetterSpace]3 -> 1.4, PGI\[LetterSpace]Keq\[LetterSpace]3 -> 0.29, PGI\[LetterSpace]Kf6p\[LetterSpace]3 -> 0.3, PFK\[LetterSpace]Vmax\[LetterSpace]4 -> 110.0, PFK\[LetterSpace]gR\[LetterSpace]4 -> 5.12, PFK\[LetterSpace]Kf6p\[LetterSpace]4 -> 0.1, PFK\[LetterSpace]Katp\[LetterSpace]4 -> 0.71, PFK\[LetterSpace]L0\[LetterSpace]4 -> 0.66, PFK\[LetterSpace]Ciatp\[LetterSpace]4 -> 100.0, PFK\[LetterSpace]Kiatp\[LetterSpace]4 -> 0.65, PFK\[LetterSpace]Camp\[LetterSpace]4 -> 0.0845, PFK\[LetterSpace]Kamp\[LetterSpace]4 -> 0.0995, PFK\[LetterSpace]Cf26\[LetterSpace]4 -> 0.0174, PFK\[LetterSpace]Kf26\[LetterSpace]4 -> 0.000682, PFK\[LetterSpace]Cf16\[LetterSpace]4 -> 0.397, PFK\[LetterSpace]Kf16\[LetterSpace]4 -> 0.111, PFK\[LetterSpace]Catp\[LetterSpace]4 -> 3.0, ALD\[LetterSpace]Vmax\[LetterSpace]5 -> 94.69, ALD\[LetterSpace]Kf16bp\[LetterSpace]5 -> 0.3, ALD\[LetterSpace]Keq\[LetterSpace]5 -> 0.069, ALD\[LetterSpace]Kdhap\[LetterSpace]5 -> 2.0, ALD\[LetterSpace]Kgap\[LetterSpace]5 -> 2.4, ALD\[LetterSpace]Kigap\[LetterSpace]5 -> 10.0, TPI\[LetterSpace]k1\[LetterSpace]6 -> 450000.0, TPI\[LetterSpace]k2\[LetterSpace]6 -> 10000000.0, GAPDH\[LetterSpace]C\[LetterSpace]7 -> 1.0, GAPDH\[LetterSpace]Vmaxf\[LetterSpace]7 -> 1152.0, GAPDH\[LetterSpace]Kgap\[LetterSpace]7 -> 0.21, GAPDH\[LetterSpace]Knad\[LetterSpace]7 -> 0.09, GAPDH\[LetterSpace]Vmaxr\[LetterSpace]7 -> 6719.0, GAPDH\[LetterSpace]Kbpg\[LetterSpace]7 -> 0.0098, GAPDH\[LetterSpace]Knadh\[LetterSpace]7 -> 0.06, PGK\[LetterSpace]Vmax\[LetterSpace]8 -> 1288.0, PGK\[LetterSpace]Keq\[LetterSpace]8 -> 3200.0, PGK\[LetterSpace]Kp3g\[LetterSpace]8 -> 0.53, PGK\[LetterSpace]Katp\[LetterSpace]8 -> 0.3, PGK\[LetterSpace]Kbpg\[LetterSpace]8 -> 0.003, PGK\[LetterSpace]Kadp\[LetterSpace]8 -> 0.2, PGM\[LetterSpace]Vmax\[LetterSpace]9 -> 2585.0, PGM\[LetterSpace]Kp3g\[LetterSpace]9 -> 1.2, PGM\[LetterSpace]Keq\[LetterSpace]9 -> 0.19, PGM\[LetterSpace]Kp2g\[LetterSpace]9 -> 0.08, ENO\[LetterSpace]Vmax\[LetterSpace]10 -> 201.6, ENO\[LetterSpace]Kp2g\[LetterSpace]10 -> 0.04, ENO\[LetterSpace]Keq\[LetterSpace]10 -> 6.7, ENO\[LetterSpace]Kpep\[LetterSpace]10 -> 0.5, PYK\[LetterSpace]Vmax\[LetterSpace]11 -> 1000.0, PYK\[LetterSpace]Kpep\[LetterSpace]11 -> 0.14, PYK\[LetterSpace]Kadp\[LetterSpace]11 -> 0.53, PYK\[LetterSpace]Keq\[LetterSpace]11 -> 6500.0, PYK\[LetterSpace]Kpyr\[LetterSpace]11 -> 21.0, PYK\[LetterSpace]Katp\[LetterSpace]11 -> 1.5, PDC\[LetterSpace]Vmax\[LetterSpace]12 -> 857.8, PDC\[LetterSpace]Kpyr\[LetterSpace]12 -> 4.33, PDC\[LetterSpace]nH\[LetterSpace]12 -> 1.9, ADH\[LetterSpace]Vmax\[LetterSpace]13 -> 209.5, ADH\[LetterSpace]Ketoh\[LetterSpace]13 -> 17.0, ADH\[LetterSpace]Kinad\[LetterSpace]13 -> 0.92, ADH\[LetterSpace]Keq\[LetterSpace]13 -> 6.9*^-05, ADH\[LetterSpace]Knad\[LetterSpace]13 -> 0.17, ADH\[LetterSpace]Knadh\[LetterSpace]13 -> 0.11, ADH\[LetterSpace]Kinadh\[LetterSpace]13 -> 0.031, ADH\[LetterSpace]Kacald\[LetterSpace]13 -> 1.11, ADH\[LetterSpace]Kiacald\[LetterSpace]13 -> 1.1, ADH\[LetterSpace]Kietoh\[LetterSpace]13 -> 90.0, ATPase\[LetterSpace]Katpase\[LetterSpace]14 -> 39.5, AK\[LetterSpace]k1\[LetterSpace]15 -> 45.0, G3PDH\[LetterSpace]Kglycerol\[LetterSpace]16 -> 1.0, G3PDH\[LetterSpace]Knad\[LetterSpace]16 -> 0.93, Glycogen\[LetterSpace]Branch\[LetterSpace]KGLYCOGEN\[LetterSpace]17 -> 6.0, Trehalose\[LetterSpace]Branch\[LetterSpace]Ktrehalose\[LetterSpace]18 -> 2.4, Succinate\[LetterSpace]Branch\[LetterSpace]k\[LetterSpace]19 -> 21.4, cell -> 1.0, ext -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { ADP[t]->"http://identifiers.org/chebi/CHEBI:16761", ADP[t]->"http://identifiers.org/kegg.compound/C00008", AMP[t]->"http://identifiers.org/chebi/CHEBI:16027", AMP[t]->"http://identifiers.org/kegg.compound/C00020", ATP[t]->"http://identifiers.org/chebi/CHEBI:15422", ATP[t]->"http://identifiers.org/kegg.compound/C00002", AcAld[t]->"http://identifiers.org/chebi/CHEBI:15343", AcAld[t]->"http://identifiers.org/kegg.compound/C00084", BPG[t]->"http://identifiers.org/chebi/CHEBI:16001", BPG[t]->"http://identifiers.org/kegg.compound/C00236", CO2[t]->"http://identifiers.org/chebi/CHEBI:16526", CO2[t]->"http://identifiers.org/kegg.compound/C00011", DHAP[t]->"http://identifiers.org/chebi/CHEBI:16108", DHAP[t]->"http://identifiers.org/kegg.compound/C00111", EtOH[t]->"http://identifiers.org/chebi/CHEBI:16236", EtOH[t]->"http://identifiers.org/kegg.compound/C00469", F16bP[t]->"http://identifiers.org/chebi/CHEBI:28013", F16bP[t]->"http://identifiers.org/kegg.compound/C05378", F26bP[t]->"http://identifiers.org/chebi/CHEBI:28602", F26bP[t]->"http://identifiers.org/kegg.compound/C00665", F6P[t]->"http://identifiers.org/chebi/CHEBI:16084", F6P[t]->"http://identifiers.org/kegg.compound/C05345", G6P[t]->"http://identifiers.org/chebi/CHEBI:17665", G6P[t]->"http://identifiers.org/kegg.compound/C00668", GAP[t]->"http://identifiers.org/chebi/CHEBI:29052", GAP[t]->"http://identifiers.org/kegg.compound/C00118", GLCi[t]->"http://identifiers.org/chebi/CHEBI:4167", GLCi[t]->"http://identifiers.org/kegg.compound/C00031", GLCo[t]->"http://identifiers.org/chebi/CHEBI:4167", GLCo[t]->"http://identifiers.org/kegg.compound/C00031", Glycerol[t]->"http://identifiers.org/chebi/CHEBI:17754", Glycerol[t]->"http://identifiers.org/kegg.compound/C00116", Glycogen[t]->"http://identifiers.org/chebi/CHEBI:28087", Glycogen[t]->"http://identifiers.org/kegg.compound/C00182", NAD[t]->"http://identifiers.org/chebi/CHEBI:15846", NAD[t]->"http://identifiers.org/kegg.compound/C00003", NADH[t]->"http://identifiers.org/chebi/CHEBI:16908", NADH[t]->"http://identifiers.org/kegg.compound/C00004", P2G[t]->"http://identifiers.org/chebi/CHEBI:17835", P2G[t]->"http://identifiers.org/kegg.compound/C00631", P3G[t]->"http://identifiers.org/chebi/CHEBI:17794", P3G[t]->"http://identifiers.org/kegg.compound/C00197", PEP[t]->"http://identifiers.org/chebi/CHEBI:18021", PEP[t]->"http://identifiers.org/kegg.compound/C00074", PYR[t]->"http://identifiers.org/chebi/CHEBI:15361", PYR[t]->"http://identifiers.org/kegg.compound/C00022", Succinate[t]->"http://identifiers.org/chebi/CHEBI:30031", Succinate[t]->"http://identifiers.org/kegg.compound/C00042", Trehalose[t]->"http://identifiers.org/chebi/CHEBI:16551", Trehalose[t]->"http://identifiers.org/kegg.compound/C01083" }; reactionAnnotations = { ADH->"http://identifiers.org/kegg.reaction/R00754", ADH->"http://identifiers.org/ec-code/1.1.1.1", ADH->"http://identifiers.org/go/GO:0004022", ALD->"http://identifiers.org/kegg.reaction/R01068", ALD->"http://identifiers.org/ec-code/4.1.2.13", ALD->"http://identifiers.org/go/GO:0004332", ENO->"http://identifiers.org/kegg.reaction/R00658", ENO->"http://identifiers.org/ec-code/4.2.1.11", ENO->"http://identifiers.org/go/GO:0004634", GAPDH->"http://identifiers.org/kegg.reaction/R01061", GAPDH->"http://identifiers.org/ec-code/1.2.1.12", GAPDH->"http://identifiers.org/go/GO:0004365", HK->"http://identifiers.org/kegg.reaction/R02848", HK->"http://identifiers.org/ec-code/2.7.1.1", HK->"http://identifiers.org/go/GO:0004396", PDC->"http://identifiers.org/kegg.reaction/R00636", PDC->"http://identifiers.org/ec-code/4.1.1.1", PDC->"http://identifiers.org/go/GO:0004737", PGI->"http://identifiers.org/kegg.reaction/R00771", PGI->"http://identifiers.org/ec-code/5.3.1.9", PGI->"http://identifiers.org/go/GO:0004347", PGK->"http://identifiers.org/kegg.reaction/R01512", PGK->"http://identifiers.org/ec-code/2.7.2.3", PGK->"http://identifiers.org/go/GO:0004618", PYK->"http://identifiers.org/kegg.reaction/R00200", PYK->"http://identifiers.org/ec-code/2.7.1.40", PYK->"http://identifiers.org/go/GO:0004743", TPI->"http://identifiers.org/kegg.reaction/R01015", TPI->"http://identifiers.org/ec-code/5.3.1.1", TPI->"http://identifiers.org/go/GO:0004807" }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { ADP'[t] == 1.0*HK +1.0*PFK +1.0*ATPase +1.0*Glycogen\[LetterSpace]Branch +1.0*Trehalose\[LetterSpace]Branch -1.0*PGK -1.0*PYK -2.0*AK, AMP'[t] == 1.0*AK , ATP'[t] == 1.0*PGK +1.0*PYK +1.0*AK -1.0*HK -1.0*PFK -1.0*ATPase -1.0*Glycogen\[LetterSpace]Branch -1.0*Trehalose\[LetterSpace]Branch, AcAld'[t] == 1.0*PDC +1.0*ADH -2.0*Succinate\[LetterSpace]Branch, BPG'[t] == 1.0*GAPDH -1.0*PGK, DHAP'[t] == 1.0*ALD -1.0*TPI -1.0*G3PDH, F16bP'[t] == 1.0*PFK -1.0*ALD, F6P'[t] == 1.0*PGI -1.0*PFK, G6P'[t] == 1.0*HK -1.0*PGI -1.0*Glycogen\[LetterSpace]Branch -2.0*Trehalose\[LetterSpace]Branch, GAP'[t] == 1.0*ALD +1.0*TPI -1.0*GAPDH, GLCi'[t] == 1.0*HXT -1.0*HK, NAD'[t] == 1.0*G3PDH -1.0*GAPDH -1.0*ADH -3.0*Succinate\[LetterSpace]Branch, NADH'[t] == 1.0*GAPDH +1.0*ADH +3.0*Succinate\[LetterSpace]Branch -1.0*G3PDH, P2G'[t] == 1.0*PGM -1.0*ENO, P3G'[t] == 1.0*PGK -1.0*PGM, PEP'[t] == 1.0*ENO -1.0*PYK, PYR'[t] == 1.0*PYK -1.0*PDC }; 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]}]