(* 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 = { ACE[t], BPG[t], D6PGluconate[t], D6PGluconoLactone[t], DHAP[t], Erythrose4P[t], F16P[t], F6P[t], G6P[t], GA3P[t], GLCi[t], NAD[t], NADH[t], NADP[t], NADPH[t], P[t], P2G[t], P3G[t], PEP[t], PYR[t], Ribose5P[t], Ribulose5P[t], Seduhept7P[t], Xyl5P[t] }; initialValues = { ACE[0] == 0.04, BPG[0] == 0.1, D6PGluconate[0] == 0.1, D6PGluconoLactone[0] == 0.1, DHAP[0] == 1.0, Erythrose4P[0] == 0.0, F16P[0] == 0.1, F6P[0] == 0.28, G6P[0] == 1.39, GA3P[0] == 0.05, GLCi[0] == 0.087, NAD[0] == 1.2, NADH[0] == 0.39, NADP[0] == 0.4, NADPH[0] == 1.6, P[0] == 5.0, P2G[0] == 0.1, P3G[0] == 0.1, PEP[0] == 0.1, PYR[0] == 3.36, Ribose5P[0] == 0.1, Ribulose5P[0] == 0.1, Seduhept7P[0] == 0.1, Xyl5P[0] == 0.1 }; rates = { v6PGL, vADH, vALD, vATP, vENO, vG3PDH, vG6PDH, vGAPDH, vGLK, vGLT, vGluDH, vNADPH, vPDC, vPFK, vPGI, vPGK, vPGM, vPPI, vPYK, vR5PI, vSUC, vTPI, vTransald, vTransk1, vTransk2 }; rateEquations = { v6PGL -> (cytoplasm*v6PGL\[LetterSpace]Vm6PGL*D6PGluconoLactone[t])/(v6PGL\[LetterSpace]Km6PGL + D6PGluconoLactone[t]), vADH -> -((cytoplasm*vADH\[LetterSpace]VmADH*(ETOH*NAD[t] - (ACE[t]*NADH[t])/vADH\[LetterSpace]KeqADH))/(vADH\[LetterSpace]KiADHNAD*vADH\[LetterSpace]KmADHETOH*(1 + (ETOH*vADH\[LetterSpace]KmADHNAD)/(vADH\[LetterSpace]KiADHNAD*vADH\[LetterSpace]KmADHETOH) + (vADH\[LetterSpace]KmADHNADH*ACE[t])/(vADH\[LetterSpace]KiADHNADH*vADH\[LetterSpace]KmADHACE) + NAD[t]/vADH\[LetterSpace]KiADHNAD + (ETOH*NAD[t])/(vADH\[LetterSpace]KiADHNAD*vADH\[LetterSpace]KmADHETOH) + (ETOH*ACE[t]*NAD[t])/(vADH\[LetterSpace]KiADHACE*vADH\[LetterSpace]KiADHNAD*vADH\[LetterSpace]KmADHETOH) + (vADH\[LetterSpace]KmADHNADH*ACE[t]*NAD[t])/(vADH\[LetterSpace]KiADHNAD*vADH\[LetterSpace]KiADHNADH*vADH\[LetterSpace]KmADHACE) + NADH[t]/vADH\[LetterSpace]KiADHNADH + (ETOH*vADH\[LetterSpace]KmADHNAD*NADH[t])/(vADH\[LetterSpace]KiADHNAD*vADH\[LetterSpace]KiADHNADH*vADH\[LetterSpace]KmADHETOH) + (ACE[t]*NADH[t])/(vADH\[LetterSpace]KiADHNADH*vADH\[LetterSpace]KmADHACE) + (ETOH*ACE[t]*NADH[t])/(vADH\[LetterSpace]KiADHETOH*vADH\[LetterSpace]KiADHNADH*vADH\[LetterSpace]KmADHACE)))), vALD -> (cytoplasm*vALD\[LetterSpace]VmALD*F16P[t]*(1 - (DHAP[t]*GA3P[t])/(vALD\[LetterSpace]KeqALD*F16P[t])))/(vALD\[LetterSpace]KmALDF16P*(1 + DHAP[t]/vALD\[LetterSpace]KmALDDHAP + F16P[t]/vALD\[LetterSpace]KmALDF16P + GA3P[t]/vALD\[LetterSpace]KmALDGAP + (DHAP[t]*GA3P[t])/(vALD\[LetterSpace]KmALDDHAP*vALD\[LetterSpace]KmALDGAP) + (F16P[t]*GA3P[t])/(vALD\[LetterSpace]KmALDF16P*vALD\[LetterSpace]KmALDGAPi))), vATP -> (cytoplasm*vATP\[LetterSpace]KATPASE*(-SUMAXP + P[t] - 4*vATP\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vATP\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vATP\[LetterSpace]KeqAK*P[t]^2)^0.5))/(2 - 8*vATP\[LetterSpace]KeqAK), vENO -> (cytoplasm*vENO\[LetterSpace]VmENO*(P2G[t] - PEP[t]/vENO\[LetterSpace]KeqENO))/(vENO\[LetterSpace]KmENOP2G*(1 + P2G[t]/vENO\[LetterSpace]KmENOP2G + PEP[t]/vENO\[LetterSpace]KmENOPEP)), vG3PDH -> (cytoplasm*vG3PDH\[LetterSpace]VmG3PDH*(-((GLY*NAD[t])/vG3PDH\[LetterSpace]KeqG3PDH) + (DHAP[t]*NADH[t])/(1 + vG3PDH\[LetterSpace]KeqTPI)))/(vG3PDH\[LetterSpace]KmG3PDHDHAP*vG3PDH\[LetterSpace]KmG3PDHNADH*(1 + GLY/vG3PDH\[LetterSpace]KmG3PDHGLY + DHAP[t]/((1 + vG3PDH\[LetterSpace]KeqTPI)*vG3PDH\[LetterSpace]KmG3PDHDHAP))*(1 + NAD[t]/vG3PDH\[LetterSpace]KmG3PDHNAD + NADH[t]/vG3PDH\[LetterSpace]KmG3PDHNADH)), vG6PDH -> (cytoplasm*vG6PDH\[LetterSpace]VmG6PDH*G6P[t]*NADP[t])/(vG6PDH\[LetterSpace]KmG6P*vG6PDH\[LetterSpace]KmNADP*(1 + NADP[t]/vG6PDH\[LetterSpace]KmNADP)*(1 + G6P[t]/vG6PDH\[LetterSpace]KmG6P + NADPH[t]/vG6PDH\[LetterSpace]KiNADPH)), vGAPDH -> (cytoplasm*k\[LetterSpace]rel\[LetterSpace]GAPDH*vGAPDH\[LetterSpace]VmGAPDHf*GA3P[t]*NAD[t]*(1 - (BPG[t]*NADH[t])/(vGAPDH\[LetterSpace]KeqGAPDH*GA3P[t]*NAD[t])))/(vGAPDH\[LetterSpace]KmGAPDHGAP*vGAPDH\[LetterSpace]KmGAPDHNAD*(1 + BPG[t]/vGAPDH\[LetterSpace]KmGAPDHBPG + GA3P[t]/vGAPDH\[LetterSpace]KmGAPDHGAP)*(1 + NAD[t]/vGAPDH\[LetterSpace]KmGAPDHNAD + NADH[t]/vGAPDH\[LetterSpace]KmGAPDHNADH)), vGLK -> (cytoplasm*vGLK\[LetterSpace]VmGLK*(-((G6P[t]*(SUMAXP - (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vGLK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vGLK\[LetterSpace]KeqAK*P[t]^2)^0.5))/((1 - 4*vGLK\[LetterSpace]KeqAK)*vGLK\[LetterSpace]KeqGLK)) + (GLCi[t]*(-SUMAXP + P[t] - 4*vGLK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vGLK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vGLK\[LetterSpace]KeqAK*P[t]^2)^0.5))/(2 - 8*vGLK\[LetterSpace]KeqAK)))/(vGLK\[LetterSpace]KmGLKATP*vGLK\[LetterSpace]KmGLKGLCi*(1 + G6P[t]/vGLK\[LetterSpace]KmGLKG6P + GLCi[t]/vGLK\[LetterSpace]KmGLKGLCi)*(1 + (SUMAXP - (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vGLK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vGLK\[LetterSpace]KeqAK*P[t]^2)^0.5)/((1 - 4*vGLK\[LetterSpace]KeqAK)*vGLK\[LetterSpace]KmGLKADP) + (-SUMAXP + P[t] - 4*vGLK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vGLK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vGLK\[LetterSpace]KeqAK*P[t]^2)^0.5)/((2 - 8*vGLK\[LetterSpace]KeqAK)*vGLK\[LetterSpace]KmGLKATP))), vGLT -> (cytoplasm*vGLT\[LetterSpace]VmGLT*(GLCo - GLCi[t]/vGLT\[LetterSpace]KeqGLT))/(vGLT\[LetterSpace]KmGLTGLCo*(1 + GLCo/vGLT\[LetterSpace]KmGLTGLCo + GLCi[t]/vGLT\[LetterSpace]KmGLTGLCi + (0.91*GLCo*GLCi[t])/(vGLT\[LetterSpace]KmGLTGLCi*vGLT\[LetterSpace]KmGLTGLCo))), vGluDH -> (cytoplasm*vGluDH\[LetterSpace]VmGluDH*D6PGluconate[t]*NADP[t])/(vGluDH\[LetterSpace]KmGluconate*vGluDH\[LetterSpace]KmNADP*(1 + NADP[t]/vGluDH\[LetterSpace]KmNADP)*(1 + D6PGluconate[t]/vGluDH\[LetterSpace]KmGluconate + NADPH[t]/vGluDH\[LetterSpace]KiNADPH)), vNADPH -> cytoplasm*vNADPH\[LetterSpace]kNADPH*NADPH[t], vPDC -> (cytoplasm*vPDC\[LetterSpace]VmPDC*PYR[t]^vPDC\[LetterSpace]nPDC)/(vPDC\[LetterSpace]KmPDCPYR^vPDC\[LetterSpace]nPDC*(1 + PYR[t]^vPDC\[LetterSpace]nPDC/vPDC\[LetterSpace]KmPDCPYR^vPDC\[LetterSpace]nPDC)), vPFK -> (cytoplasm*vPFK\[LetterSpace]gR*vPFK\[LetterSpace]VmPFK*F6P[t]*(-SUMAXP + P[t] - 4*vPFK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5)*(1 + F6P[t]/vPFK\[LetterSpace]KmPFKF6P + (-SUMAXP + P[t] - 4*vPFK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5)/((2 - 8*vPFK\[LetterSpace]KeqAK)*vPFK\[LetterSpace]KmPFKATP) + (vPFK\[LetterSpace]gR*F6P[t]*(-SUMAXP + P[t] - 4*vPFK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5))/((2 - 8*vPFK\[LetterSpace]KeqAK)*vPFK\[LetterSpace]KmPFKATP*vPFK\[LetterSpace]KmPFKF6P)))/((2 - 8*vPFK\[LetterSpace]KeqAK)*vPFK\[LetterSpace]KmPFKATP*vPFK\[LetterSpace]KmPFKF6P*((vPFK\[LetterSpace]L0*(1 + (F26BP*vPFK\[LetterSpace]CPFKF26BP)/vPFK\[LetterSpace]KPFKF26BP + (vPFK\[LetterSpace]CPFKF16BP*F16P[t])/vPFK\[LetterSpace]KPFKF16BP)^2*(1 + (2*vPFK\[LetterSpace]CPFKAMP*vPFK\[LetterSpace]KeqAK*(SUMAXP - (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5)^2)/((-1 + 4*vPFK\[LetterSpace]KeqAK)*vPFK\[LetterSpace]KPFKAMP*(SUMAXP - P[t] + 4*vPFK\[LetterSpace]KeqAK*P[t] - (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5)))^2*(1 + (vPFK\[LetterSpace]CiPFKATP*(-SUMAXP + P[t] - 4*vPFK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5))/((2 - 8*vPFK\[LetterSpace]KeqAK)*vPFK\[LetterSpace]KiPFKATP))^2*(1 + (vPFK\[LetterSpace]CPFKATP*(-SUMAXP + P[t] - 4*vPFK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5))/((2 - 8*vPFK\[LetterSpace]KeqAK)*vPFK\[LetterSpace]KmPFKATP))^2)/((1 + F26BP/vPFK\[LetterSpace]KPFKF26BP + F16P[t]/vPFK\[LetterSpace]KPFKF16BP)^2*(1 + (2*vPFK\[LetterSpace]KeqAK*(SUMAXP - (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5)^2)/((-1 + 4*vPFK\[LetterSpace]KeqAK)*vPFK\[LetterSpace]KPFKAMP*(SUMAXP - P[t] + 4*vPFK\[LetterSpace]KeqAK*P[t] - (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5)))^2*(1 + (-SUMAXP + P[t] - 4*vPFK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5)/((2 - 8*vPFK\[LetterSpace]KeqAK)*vPFK\[LetterSpace]KiPFKATP))^2) + (1 + F6P[t]/vPFK\[LetterSpace]KmPFKF6P + (-SUMAXP + P[t] - 4*vPFK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5)/((2 - 8*vPFK\[LetterSpace]KeqAK)*vPFK\[LetterSpace]KmPFKATP) + (vPFK\[LetterSpace]gR*F6P[t]*(-SUMAXP + P[t] - 4*vPFK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPFK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPFK\[LetterSpace]KeqAK*P[t]^2)^0.5))/((2 - 8*vPFK\[LetterSpace]KeqAK)*vPFK\[LetterSpace]KmPFKATP*vPFK\[LetterSpace]KmPFKF6P))^2)), vPGI -> (cytoplasm*vPGI\[LetterSpace]VmPGI*(-(F6P[t]/vPGI\[LetterSpace]KeqPGI) + G6P[t]))/(vPGI\[LetterSpace]KmPGIG6P*(1 + F6P[t]/vPGI\[LetterSpace]KmPGIF6P + G6P[t]/vPGI\[LetterSpace]KmPGIG6P)), vPGK -> (cytoplasm*vPGK\[LetterSpace]VmPGK*((vPGK\[LetterSpace]KeqPGK*BPG[t]*(SUMAXP - (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPGK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPGK\[LetterSpace]KeqAK*P[t]^2)^0.5))/(1 - 4*vPGK\[LetterSpace]KeqAK) - ((-SUMAXP + P[t] - 4*vPGK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPGK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPGK\[LetterSpace]KeqAK*P[t]^2)^0.5)*P3G[t])/(2 - 8*vPGK\[LetterSpace]KeqAK)))/(vPGK\[LetterSpace]KmPGKATP*vPGK\[LetterSpace]KmPGKP3G*(1 + (SUMAXP - (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPGK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPGK\[LetterSpace]KeqAK*P[t]^2)^0.5)/((1 - 4*vPGK\[LetterSpace]KeqAK)*vPGK\[LetterSpace]KmPGKADP) + (-SUMAXP + P[t] - 4*vPGK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPGK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPGK\[LetterSpace]KeqAK*P[t]^2)^0.5)/((2 - 8*vPGK\[LetterSpace]KeqAK)*vPGK\[LetterSpace]KmPGKATP))*(1 + BPG[t]/vPGK\[LetterSpace]KmPGKBPG + P3G[t]/vPGK\[LetterSpace]KmPGKP3G)), vPGM -> (cytoplasm*vPGM\[LetterSpace]VmPGM*(-(P2G[t]/vPGM\[LetterSpace]KeqPGM) + P3G[t]))/(vPGM\[LetterSpace]KmPGMP3G*(1 + P2G[t]/vPGM\[LetterSpace]KmPGMP2G + P3G[t]/vPGM\[LetterSpace]KmPGMP3G)), vPPI -> (cytoplasm*(-((vPPI\[LetterSpace]VmPPIr*Ribose5P[t])/vPPI\[LetterSpace]KmRibo5P) + (vPPI\[LetterSpace]VmPPIf*Ribulose5P[t])/vPPI\[LetterSpace]KmRibu5P))/(1 + Ribose5P[t]/vPPI\[LetterSpace]KmRibo5P + Ribulose5P[t]/vPPI\[LetterSpace]KmRibu5P), vPYK -> (cytoplasm*vPYK\[LetterSpace]VmPYK*(((SUMAXP - (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPYK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPYK\[LetterSpace]KeqAK*P[t]^2)^0.5)*PEP[t])/(1 - 4*vPYK\[LetterSpace]KeqAK) - ((-SUMAXP + P[t] - 4*vPYK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPYK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPYK\[LetterSpace]KeqAK*P[t]^2)^0.5)*PYR[t])/((2 - 8*vPYK\[LetterSpace]KeqAK)*vPYK\[LetterSpace]KeqPYK)))/(vPYK\[LetterSpace]KmPYKADP*vPYK\[LetterSpace]KmPYKPEP*(1 + (SUMAXP - (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPYK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPYK\[LetterSpace]KeqAK*P[t]^2)^0.5)/((1 - 4*vPYK\[LetterSpace]KeqAK)*vPYK\[LetterSpace]KmPYKADP) + (-SUMAXP + P[t] - 4*vPYK\[LetterSpace]KeqAK*P[t] + (SUMAXP^2 - 2*SUMAXP*P[t] + 8*SUMAXP*vPYK\[LetterSpace]KeqAK*P[t] + P[t]^2 - 4*vPYK\[LetterSpace]KeqAK*P[t]^2)^0.5)/((2 - 8*vPYK\[LetterSpace]KeqAK)*vPYK\[LetterSpace]KmPYKATP))*(1 + PEP[t]/vPYK\[LetterSpace]KmPYKPEP + PYR[t]/vPYK\[LetterSpace]KmPYKPYR)), vR5PI -> (cytoplasm*((vR5PI\[LetterSpace]VmR5PIf*Ribulose5P[t])/vR5PI\[LetterSpace]KmRibu5P - (vR5PI\[LetterSpace]VmR5PIr*Xyl5P[t])/vR5PI\[LetterSpace]KmXyl))/(1 + Ribulose5P[t]/vR5PI\[LetterSpace]KmRibu5P + Xyl5P[t]/vR5PI\[LetterSpace]KmXyl), vSUC -> cytoplasm*vSUC\[LetterSpace]KSUCC*ACE[t], vTPI -> (cytoplasm*k\[LetterSpace]rel\[LetterSpace]TPI*(-((vTPI\[LetterSpace]VmGA3P*DHAP[t])/vTPI\[LetterSpace]KmDHAP) + (vTPI\[LetterSpace]VmDHAP*GA3P[t])/vTPI\[LetterSpace]KmGA3P))/(1 + DHAP[t]/vTPI\[LetterSpace]KmDHAP + GA3P[t]/vTPI\[LetterSpace]KmGA3P), vTransald -> (cytoplasm*(-((vTransald\[LetterSpace]VmTransaldr*Erythrose4P[t]*F6P[t])/(vTransald\[LetterSpace]KmEry4P*vTransald\[LetterSpace]KmF6P)) + (vTransald\[LetterSpace]VmTransaldf*GA3P[t]*Seduhept7P[t])/(vTransald\[LetterSpace]KmGA3P*vTransald\[LetterSpace]KmSeduhept)))/((1 + F6P[t]/vTransald\[LetterSpace]KmF6P + GA3P[t]/vTransald\[LetterSpace]KmGA3P)*(1 + Erythrose4P[t]/vTransald\[LetterSpace]KmEry4P + Seduhept7P[t]/vTransald\[LetterSpace]KmSeduhept)), vTransk1 -> (cytoplasm*(-((vTransk1\[LetterSpace]VmTransk1r*GA3P[t]*Seduhept7P[t])/(vTransk1\[LetterSpace]KmGA3P*vTransk1\[LetterSpace]KmSeduhept)) + (vTransk1\[LetterSpace]VmTransk1f*Ribose5P[t]*Xyl5P[t])/(vTransk1\[LetterSpace]KmRibose5P*vTransk1\[LetterSpace]KmXyl5P)))/((1 + GA3P[t]/vTransk1\[LetterSpace]KmGA3P + Ribose5P[t]/vTransk1\[LetterSpace]KmRibose5P)*(1 + Seduhept7P[t]/vTransk1\[LetterSpace]KmSeduhept + Xyl5P[t]/vTransk1\[LetterSpace]KmXyl5P)), vTransk2 -> (cytoplasm*(-((vTransk2\[LetterSpace]VmTransk2r*F6P[t]*GA3P[t])/(vTransk2\[LetterSpace]KmF6P*vTransk2\[LetterSpace]KmGA3P)) + (vTransk2\[LetterSpace]VmTransk2f*Erythrose4P[t]*Xyl5P[t])/(vTransk2\[LetterSpace]KmEry4P*vTransk2\[LetterSpace]KmXyl5P)))/((1 + Erythrose4P[t]/vTransk2\[LetterSpace]KmEry4P + F6P[t]/vTransk2\[LetterSpace]KmF6P)*(1 + GA3P[t]/vTransk2\[LetterSpace]KmGA3P + Xyl5P[t]/vTransk2\[LetterSpace]KmXyl5P)) }; parameters = { SUMAXP -> 4.1, k\[LetterSpace]rel\[LetterSpace]GAPDH -> 1.0, k\[LetterSpace]rel\[LetterSpace]TPI -> 1.0, CO2 -> 1.0, ETOH -> 50.0, F26BP -> 0.02, GLCo -> 50.0, GLY -> 0.15, SUCC -> 0.1, X -> 0.1, vGLK\[LetterSpace]VmGLK -> 226.452, vGLK\[LetterSpace]KeqAK -> 0.45, vGLK\[LetterSpace]KeqGLK -> 3800.0, vGLK\[LetterSpace]KmGLKATP -> 0.15, vGLK\[LetterSpace]KmGLKGLCi -> 0.08, vGLK\[LetterSpace]KmGLKG6P -> 30.0, vGLK\[LetterSpace]KmGLKADP -> 0.23, vPGI\[LetterSpace]VmPGI -> 339.677, vPGI\[LetterSpace]KmPGIG6P -> 1.4, vPGI\[LetterSpace]KeqPGI -> 0.314, vPGI\[LetterSpace]KmPGIF6P -> 0.3, vPFK\[LetterSpace]gR -> 5.12, vPFK\[LetterSpace]VmPFK -> 182.903, vPFK\[LetterSpace]KeqAK -> 0.45, vPFK\[LetterSpace]KmPFKF6P -> 0.1, vPFK\[LetterSpace]KmPFKATP -> 0.71, vPFK\[LetterSpace]L0 -> 0.66, vPFK\[LetterSpace]CPFKF26BP -> 0.0174, vPFK\[LetterSpace]KPFKF26BP -> 0.000682, vPFK\[LetterSpace]CPFKF16BP -> 0.397, vPFK\[LetterSpace]KPFKF16BP -> 0.111, vPFK\[LetterSpace]CPFKAMP -> 0.0845, vPFK\[LetterSpace]KPFKAMP -> 0.0995, vPFK\[LetterSpace]CiPFKATP -> 100.0, vPFK\[LetterSpace]KiPFKATP -> 0.65, vPFK\[LetterSpace]CPFKATP -> 3.0, vALD\[LetterSpace]VmALD -> 322.258, vALD\[LetterSpace]KeqTPI -> 0.045, vALD\[LetterSpace]KeqALD -> 0.069, vALD\[LetterSpace]KmALDF16P -> 0.3, vALD\[LetterSpace]KmALDDHAP -> 2.4, vALD\[LetterSpace]KmALDGAP -> 2.0, vALD\[LetterSpace]KmALDGAPi -> 10.0, vG3PDH\[LetterSpace]VmG3PDH -> 70.15, vG3PDH\[LetterSpace]KeqG3PDH -> 4300.0, vG3PDH\[LetterSpace]KeqTPI -> 0.045, vG3PDH\[LetterSpace]KmG3PDHDHAP -> 0.4, vG3PDH\[LetterSpace]KmG3PDHNADH -> 0.023, vG3PDH\[LetterSpace]KmG3PDHNAD -> 0.93, vG3PDH\[LetterSpace]KmG3PDHGLY -> 1.0, vGAPDH\[LetterSpace]VmGAPDHr -> 6549.68, vGAPDH\[LetterSpace]KmGAPDHBPG -> 0.0098, vGAPDH\[LetterSpace]KmGAPDHNADH -> 0.06, vGAPDH\[LetterSpace]KeqTPI -> 0.045, vGAPDH\[LetterSpace]VmGAPDHf -> 1184.52, vGAPDH\[LetterSpace]KmGAPDHGAP -> 0.21, vGAPDH\[LetterSpace]KmGAPDHNAD -> 0.09, vGAPDH\[LetterSpace]KeqGAPDH -> 0.005, vPGK\[LetterSpace]VmPGK -> 1306.45, vPGK\[LetterSpace]KeqPGK -> 3200.0, vPGK\[LetterSpace]KeqAK -> 0.45, vPGK\[LetterSpace]KmPGKATP -> 0.3, vPGK\[LetterSpace]KmPGKP3G -> 0.53, vPGK\[LetterSpace]KmPGKADP -> 0.2, vPGK\[LetterSpace]KmPGKBPG -> 0.003, vPGM\[LetterSpace]VmPGM -> 2525.81, vPGM\[LetterSpace]KmPGMP3G -> 1.2, vPGM\[LetterSpace]KeqPGM -> 0.19, vPGM\[LetterSpace]KmPGMP2G -> 0.08, vENO\[LetterSpace]VmENO -> 365.806, vENO\[LetterSpace]KmENOP2G -> 0.04, vENO\[LetterSpace]KeqENO -> 6.7, vENO\[LetterSpace]KmENOPEP -> 0.5, vPYK\[LetterSpace]VmPYK -> 1088.71, vPYK\[LetterSpace]KmPYKPEP -> 0.14, vPYK\[LetterSpace]KmPYKADP -> 0.53, vPYK\[LetterSpace]KeqAK -> 0.45, vPYK\[LetterSpace]KeqPYK -> 6500.0, vPYK\[LetterSpace]KmPYKPYR -> 21.0, vPYK\[LetterSpace]KmPYKATP -> 1.5, vPDC\[LetterSpace]VmPDC -> 174.194, vPDC\[LetterSpace]nPDC -> 1.9, vPDC\[LetterSpace]KmPDCPYR -> 4.33, vSUC\[LetterSpace]KSUCC -> 21.4, vADH\[LetterSpace]VmADH -> 810.0, vADH\[LetterSpace]KiADHNAD -> 0.92, vADH\[LetterSpace]KmADHETOH -> 17.0, vADH\[LetterSpace]KeqADH -> 6.9*^-05, vADH\[LetterSpace]KmADHNAD -> 0.17, vADH\[LetterSpace]KmADHNADH -> 0.11, vADH\[LetterSpace]KiADHNADH -> 0.031, vADH\[LetterSpace]KmADHACE -> 1.11, vADH\[LetterSpace]KiADHACE -> 1.1, vADH\[LetterSpace]KiADHETOH -> 90.0, vATP\[LetterSpace]KATPASE -> 39.5, vATP\[LetterSpace]KeqAK -> 0.45, vTPI\[LetterSpace]KmGA3P -> 1.27, vTPI\[LetterSpace]KmDHAP -> 1.23, vTPI\[LetterSpace]VmDHAP -> 10900.0, vTPI\[LetterSpace]VmGA3P -> 555.0, vG6PDH\[LetterSpace]VmG6PDH -> 4.0, vG6PDH\[LetterSpace]KmG6P -> 0.04, vG6PDH\[LetterSpace]KmNADP -> 0.02, vG6PDH\[LetterSpace]KiNADPH -> 0.017, v6PGL\[LetterSpace]Vm6PGL -> 4.0, v6PGL\[LetterSpace]Km6PGL -> 0.8, vGluDH\[LetterSpace]VmGluDH -> 4.0, vGluDH\[LetterSpace]KmGluconate -> 0.02, vGluDH\[LetterSpace]KmNADP -> 0.03, vGluDH\[LetterSpace]KiNADPH -> 0.03, vPPI\[LetterSpace]VmPPIf -> 3458.0, vPPI\[LetterSpace]VmPPIr -> 3458.0, vPPI\[LetterSpace]KmRibu5P -> 1.6, vPPI\[LetterSpace]KmRibo5P -> 1.6, vTransk1\[LetterSpace]VmTransk1f -> 4.0, vTransk1\[LetterSpace]VmTransk1r -> 2.0, vTransk1\[LetterSpace]KmRibose5P -> 0.1, vTransk1\[LetterSpace]KmXyl5P -> 0.15, vTransk1\[LetterSpace]KmGA3P -> 0.1, vTransk1\[LetterSpace]KmSeduhept -> 0.15, vR5PI\[LetterSpace]VmR5PIf -> 1039.0, vR5PI\[LetterSpace]VmR5PIr -> 1039.0, vR5PI\[LetterSpace]KmRibu5P -> 1.5, vR5PI\[LetterSpace]KmXyl -> 1.5, vTransald\[LetterSpace]VmTransaldf -> 55.0, vTransald\[LetterSpace]VmTransaldr -> 10.0, vTransald\[LetterSpace]KmGA3P -> 0.22, vTransald\[LetterSpace]KmSeduhept -> 0.18, vTransald\[LetterSpace]KmF6P -> 0.32, vTransald\[LetterSpace]KmEry4P -> 0.018, vTransk2\[LetterSpace]VmTransk2f -> 3.2, vTransk2\[LetterSpace]VmTransk2r -> 43.0, vTransk2\[LetterSpace]KmXyl5P -> 0.16, vTransk2\[LetterSpace]KmEry4P -> 0.09, vTransk2\[LetterSpace]KmF6P -> 1.1, vTransk2\[LetterSpace]KmGA3P -> 2.1, vNADPH\[LetterSpace]kNADPH -> 2.0, vGLT\[LetterSpace]VmGLT -> 97.264, vGLT\[LetterSpace]KeqGLT -> 1.0, vGLT\[LetterSpace]KmGLTGLCo -> 1.1918, vGLT\[LetterSpace]KmGLTGLCi -> 1.1918, cytoplasm -> 1.0, extracellular -> 1.0 }; assignments = { ratio\[LetterSpace]NADPH\[LetterSpace]NADP -> NADPH[t]/NADP[t] }; events = { }; speciesAnnotations = { ACE[t]->"http://identifiers.org/chebi/CHEBI:15343", ACE[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", D6PGluconate[t]->"http://identifiers.org/chebi/CHEBI:16863", D6PGluconoLactone[t]->"http://identifiers.org/chebi/CHEBI:16938", DHAP[t]->"http://identifiers.org/chebi/CHEBI:16108", ETOH[t]->"http://identifiers.org/chebi/CHEBI:16236", ETOH[t]->"http://identifiers.org/kegg.compound/C00469", Erythrose4P[t]->"http://identifiers.org/chebi/CHEBI:48153", F16P[t]->"http://identifiers.org/chebi/CHEBI:16905", F16P[t]->"http://identifiers.org/kegg.compound/C00354", F26BP[t]->"http://identifiers.org/chebi/CHEBI:28602", F26BP[t]->"http://identifiers.org/kegg.compound/C00665", F6P[t]->"http://identifiers.org/chebi/CHEBI:15946", F6P[t]->"http://identifiers.org/kegg.compound/C05345", G6P[t]->"http://identifiers.org/chebi/CHEBI:17665", G6P[t]->"http://identifiers.org/kegg.compound/C00668", GA3P[t]->"http://identifiers.org/chebi/CHEBI:17138", GLCi[t]->"http://identifiers.org/chebi/CHEBI:17234", GLCi[t]->"http://identifiers.org/kegg.compound/C00293", GLCo[t]->"http://identifiers.org/chebi/CHEBI:17234", GLCo[t]->"http://identifiers.org/kegg.compound/C00293", GLY[t]->"http://identifiers.org/chebi/CHEBI:17754", GLY[t]->"http://identifiers.org/kegg.compound/C00116", 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", NADP[t]->"http://identifiers.org/chebi/CHEBI:18009", NADPH[t]->"http://identifiers.org/chebi/CHEBI:16474", 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", Ribose5P[t]->"http://identifiers.org/chebi/CHEBI:17797", Ribulose5P[t]->"http://identifiers.org/chebi/CHEBI:17363", SUCC[t]->"http://identifiers.org/chebi/CHEBI:30031", Seduhept7P[t]->"http://identifiers.org/chebi/CHEBI:15721", Xyl5P[t]->"http://identifiers.org/chebi/CHEBI:16332" }; reactionAnnotations = { vPDC->"http://identifiers.org/ec-code/4.1.1.1", vPDC->"http://identifiers.org/kegg.reaction/R00224" }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { ACE'[t] == 1.0*vPDC -2.0*vSUC -1.0*vADH, BPG'[t] == 1.0*vGAPDH -1.0*vPGK, D6PGluconate'[t] == 1.0*v6PGL -1.0*vGluDH, D6PGluconoLactone'[t] == 1.0*vG6PDH -1.0*v6PGL, DHAP'[t] == 1.0*vALD +1.0*vTPI -1.0*vG3PDH, Erythrose4P'[t] == 1.0*vTransald -1.0*vTransk2, F16P'[t] == 1.0*vPFK -1.0*vALD, F6P'[t] == 1.0*vPGI +1.0*vTransald +1.0*vTransk2 -1.0*vPFK, G6P'[t] == 1.0*vGLK -1.0*vPGI -1.0*vG6PDH, GA3P'[t] == 1.0*vALD +1.0*vTransk1 +1.0*vTransk2 -1.0*vGAPDH -1.0*vTPI -1.0*vTransald, GLCi'[t] == 1.0*vGLT -1.0*vGLK, NAD'[t] == 1.0*vG3PDH +1.0*vADH -1.0*vGAPDH -3.0*vSUC, NADH'[t] == 1.0*vGAPDH +3.0*vSUC -1.0*vG3PDH -1.0*vADH, NADP'[t] == 1.0*vNADPH -1.0*vG6PDH -1.0*vGluDH, NADPH'[t] == 1.0*vG6PDH +1.0*vGluDH -1.0*vNADPH, P'[t] == 1.0*vPGK +1.0*vPYK -1.0*vGLK -1.0*vPFK -1.0*vATP, P2G'[t] == 1.0*vPGM -1.0*vENO, P3G'[t] == 1.0*vPGK -1.0*vPGM, PEP'[t] == 1.0*vENO -1.0*vPYK, PYR'[t] == 1.0*vPYK -1.0*vPDC, Ribose5P'[t] == 1.0*vPPI -1.0*vTransk1, Ribulose5P'[t] == 1.0*vGluDH -1.0*vPPI -1.0*vR5PI, Seduhept7P'[t] == 1.0*vTransk1 -1.0*vTransald, Xyl5P'[t] == 1.0*vR5PI -1.0*vTransk1 -1.0*vTransk2 }; 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]}]