(* 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], AGP[t], DBP[t], DGA[t], DHA[t], DIH[t], DIN[t], DPH[t], DPN[t], ENG[t], ENZ[t], ETG[t], ETZ[t], GAP[t], GLP[t], GLU[t], GPP[t], LAC[t], MOB[t], MOD[t], MOX[t], OXY[t], PGA[t], PID[t], PPP[t], PUE[t], PYR[t], TP1[t], TP2[t], XI[t], XSI[t], XSP[t] }; initialValues = { ADP[0] == 0.0001, AGP[0] == 0.0, DBP[0] == 0.0, DGA[0] == 0.0, DHA[0] == 0.0, DIH[0] == 3*^-05, DIN[0] == 3*^-05, DPH[0] == 0.0001, DPN[0] == 0.0001, ENG[0] == 0.0, ENZ[0] == 1*^-05, ETG[0] == 0.0, ETZ[0] == 1*^-05, GAP[0] == 0.0, GLP[0] == 0.0, GLU[0] == 0.0, GPP[0] == 0.0, LAC[0] == 0.001, MOB[0] == 0.0, MOD[0] == 5*^-05, MOX[0] == 0.0, OXY[0] == 0.0005, PGA[0] == 0.0, PID[0] == 0.004, PPP[0] == 1*^-06, PUE[0] == 2*^-06, PYR[0] == 0.001, TP1[0] == 0.0005, TP2[0] == 0.0005, XI[0] == 2*^-05, XSI[0] == 2*^-05, XSP[0] == 2*^-05 }; rates = { r\[LetterSpace]1, r\[LetterSpace]10, r\[LetterSpace]11, r\[LetterSpace]12, r\[LetterSpace]13, r\[LetterSpace]14, r\[LetterSpace]15, r\[LetterSpace]16, r\[LetterSpace]17, r\[LetterSpace]18, r\[LetterSpace]19, r\[LetterSpace]2, r\[LetterSpace]20, r\[LetterSpace]21, r\[LetterSpace]22, r\[LetterSpace]3, r\[LetterSpace]4, r\[LetterSpace]5, r\[LetterSpace]6, r\[LetterSpace]7, r\[LetterSpace]8, r\[LetterSpace]9 }; rateEquations = { r\[LetterSpace]1 -> (cell*r\[LetterSpace]1\[LetterSpace]k*ENZ[t]*GLU[t])/1000000, r\[LetterSpace]10 -> (cell*r\[LetterSpace]10\[LetterSpace]k*DPN[t]*MOX[t])/1000000, r\[LetterSpace]11 -> (cell*r\[LetterSpace]11\[LetterSpace]k*ADP[t]*DGA[t])/1000000, r\[LetterSpace]12 -> (cell*r\[LetterSpace]12\[LetterSpace]k*ADP[t]*PGA[t])/1000000, r\[LetterSpace]13 -> (cell*r\[LetterSpace]13\[LetterSpace]k*DPH[t]*PYR[t])/1000000, r\[LetterSpace]14 -> (cell*r\[LetterSpace]14\[LetterSpace]k*DPN[t]*LAC[t])/1000000, r\[LetterSpace]15 -> (cell*r\[LetterSpace]15\[LetterSpace]k*DIN[t]*PYR[t])/1000000, r\[LetterSpace]16 -> (cell*r\[LetterSpace]16\[LetterSpace]k*DIH[t]*OXY[t]*XI[t])/1000000, r\[LetterSpace]17 -> (cell*r\[LetterSpace]17\[LetterSpace]k*PID[t]*XSI[t])/1000000, r\[LetterSpace]18 -> (cell*r\[LetterSpace]18\[LetterSpace]k*ADP[t]*XSP[t])/1000000, r\[LetterSpace]19 -> (cell*r\[LetterSpace]19\[LetterSpace]k*DBP[t]*XSI[t])/1000000, r\[LetterSpace]2 -> (cell*r\[LetterSpace]2\[LetterSpace]k*ENG[t]*TP1[t])/1000000, r\[LetterSpace]20 -> (cell*r\[LetterSpace]20\[LetterSpace]k*DBP[t]*TP2[t])/1000000, r\[LetterSpace]21 -> (cell*r\[LetterSpace]21\[LetterSpace]k*PUE[t]*TP1[t])/1000000, r\[LetterSpace]22 -> (cell*r\[LetterSpace]22\[LetterSpace]k*PPP[t])/1000000, r\[LetterSpace]3 -> (cell*r\[LetterSpace]3\[LetterSpace]k*ETZ[t]*GLP[t])/1000000, r\[LetterSpace]4 -> (cell*r\[LetterSpace]4\[LetterSpace]k*ETG[t]*TP1[t])/1000000, r\[LetterSpace]5 -> (cell*r\[LetterSpace]5\[LetterSpace]k*GPP[t])/1000000, r\[LetterSpace]6 -> (cell*r\[LetterSpace]6\[LetterSpace]k*DHA[t]*DPH[t])/1000000, r\[LetterSpace]7 -> (cell*r\[LetterSpace]7\[LetterSpace]k*AGP[t]*DPN[t])/1000000, r\[LetterSpace]8 -> (cell*r\[LetterSpace]8\[LetterSpace]k*GAP[t]*MOD[t])/1000000, r\[LetterSpace]9 -> (cell*r\[LetterSpace]9\[LetterSpace]k*MOB[t]*PID[t])/1000000 }; parameters = { r\[LetterSpace]1\[LetterSpace]k -> 3000000000.0, r\[LetterSpace]2\[LetterSpace]k -> 10000000000.0, r\[LetterSpace]3\[LetterSpace]k -> 40000000000.0, r\[LetterSpace]4\[LetterSpace]k -> 40000000000.0, r\[LetterSpace]5\[LetterSpace]k -> 100000.0, r\[LetterSpace]6\[LetterSpace]k -> 2000000000.0, r\[LetterSpace]7\[LetterSpace]k -> 80000000.0, r\[LetterSpace]8\[LetterSpace]k -> 600000000000.0, r\[LetterSpace]9\[LetterSpace]k -> 400000000.0, r\[LetterSpace]10\[LetterSpace]k -> 6000000000.0, r\[LetterSpace]11\[LetterSpace]k -> 10000000000.0, r\[LetterSpace]12\[LetterSpace]k -> 5000000000.0, r\[LetterSpace]13\[LetterSpace]k -> 500000000.0, r\[LetterSpace]14\[LetterSpace]k -> 10000000.0, r\[LetterSpace]15\[LetterSpace]k -> 20000000.0, r\[LetterSpace]16\[LetterSpace]k -> 7500000000000.0, r\[LetterSpace]17\[LetterSpace]k -> 400000000.0, r\[LetterSpace]18\[LetterSpace]k -> 15000000000.0, r\[LetterSpace]19\[LetterSpace]k -> 120000000.0, r\[LetterSpace]20\[LetterSpace]k -> 4000000.0, r\[LetterSpace]21\[LetterSpace]k -> 3000000000.0, r\[LetterSpace]22\[LetterSpace]k -> 2000000.0, cell -> 1.0 }; assignments = { GPP\[LetterSpace]0 -> 1000.*GPP[t], ETG\[LetterSpace]0 -> 100000*ETG[t], ETZ\[LetterSpace]0 -> 100000*ETZ[t], GLP\[LetterSpace]0 -> 1000.*GLP[t], ADP\[LetterSpace]0 -> 1000.*ADP[t], TP1\[LetterSpace]0 -> 666.6666666666666*TP1[t], ENG\[LetterSpace]0 -> 98039.2156862745*ENG[t], ENZ\[LetterSpace]0 -> 98039.2156862745*ENZ[t], GLU\[LetterSpace]0 -> 333.3333333333333*GLU[t], MOX\[LetterSpace]0 -> 20000*MOX[t], MOB\[LetterSpace]0 -> 10000.*MOB[t], MOD\[LetterSpace]0 -> 20000*MOD[t], AGP\[LetterSpace]0 -> 769.2307692307693*AGP[t], PPP\[LetterSpace]0 -> 0.32679738562091504*PPP[t], PUE\[LetterSpace]0 -> 326797.38562091504*PUE[t], DBP\[LetterSpace]0 -> 40.*DBP[t], TP2\[LetterSpace]0 -> 666.6666666666666*TP2[t], XSP\[LetterSpace]0 -> (50000*XSP[t])/3, OXY\[LetterSpace]0 -> 2000.*OXY[t], XSI\[LetterSpace]0 -> (50000*XSI[t])/3, XI\[LetterSpace]0 -> (50000*XI[t])/3, DIH\[LetterSpace]0 -> (100000*DIH[t])/7, DIN\[LetterSpace]0 -> (100000*DIN[t])/7, LAC\[LetterSpace]0 -> 833.3333333333334*LAC[t], PYR\[LetterSpace]0 -> 500.*PYR[t], PGA\[LetterSpace]0 -> 5000.*PGA[t], DGA\[LetterSpace]0 -> 5000.*DGA[t], PID\[LetterSpace]0 -> 200.*PID[t], DPH\[LetterSpace]0 -> 5000.*DPH[t], DPN\[LetterSpace]0 -> 4000.*DPN[t], DHA\[LetterSpace]0 -> 769.2307692307693*DHA[t], GAP\[LetterSpace]0 -> 5000.*GAP[t] }; events = { }; speciesAnnotations = { ADP[t]->"http://identifiers.org/obo.chebi/CHEBI:16761", ADP[t]->"http://identifiers.org/kegg.compound/C00008", AGP[t]->"http://identifiers.org/kegg.compound/C00623", AGP[t]->"http://identifiers.org/obo.chebi/CHEBI:16221", DBP[t]->"http://identifiers.org/obo.chebi/CHEBI:33625", DGA[t]->"http://identifiers.org/kegg.compound/C00236", DGA[t]->"http://identifiers.org/obo.chebi/CHEBI:16001", DHA[t]->"http://identifiers.org/kegg.compound/C00111", DHA[t]->"http://identifiers.org/obo.chebi/CHEBI:16108", DIH[t]->"http://identifiers.org/obo.chebi/CHEBI:16908", DIH[t]->"http://identifiers.org/kegg.compound/C00004", DIN[t]->"http://identifiers.org/kegg.compound/C00003", DIN[t]->"http://identifiers.org/obo.chebi/CHEBI:15846", DPH[t]->"http://identifiers.org/obo.chebi/CHEBI:16908", DPH[t]->"http://identifiers.org/kegg.compound/C00004", DPN[t]->"http://identifiers.org/obo.chebi/CHEBI:15846", DPN[t]->"http://identifiers.org/kegg.compound/C00003", GAP[t]->"http://identifiers.org/obo.chebi/CHEBI:29052", GAP[t]->"http://identifiers.org/kegg.compound/C00118", GLP[t]->"http://identifiers.org/obo.chebi/CHEBI:4170", GLP[t]->"http://identifiers.org/kegg.compound/C00092", GLU[t]->"http://identifiers.org/kegg.compound/C00293", GLU[t]->"http://identifiers.org/obo.chebi/CHEBI:17234", GPP[t]->"http://identifiers.org/kegg.compound/C05378", GPP[t]->"http://identifiers.org/obo.chebi/CHEBI:28013", LAC[t]->"http://identifiers.org/kegg.compound/C00186", LAC[t]->"http://identifiers.org/obo.chebi/CHEBI:422", OXY[t]->"http://identifiers.org/kegg.compound/C00007", OXY[t]->"http://identifiers.org/obo.chebi/CHEBI:15379", PGA[t]->"http://identifiers.org/kegg.compound/C00197", PGA[t]->"http://identifiers.org/obo.chebi/CHEBI:17794", PID[t]->"http://identifiers.org/obo.chebi/CHEBI:18367", PID[t]->"http://identifiers.org/kegg.compound/C00009", PYR[t]->"http://identifiers.org/kegg.compound/C00022", PYR[t]->"http://identifiers.org/obo.chebi/CHEBI:32816", TP1[t]->"http://identifiers.org/obo.chebi/CHEBI:15422", TP1[t]->"http://identifiers.org/kegg.compound/C00002", TP2[t]->"http://identifiers.org/kegg.compound/C00002", TP2[t]->"http://identifiers.org/obo.chebi/CHEBI:15422" }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { ADP'[t] == 1.0*r\[LetterSpace]2 +1.0*r\[LetterSpace]4 +1.0*r\[LetterSpace]22 -1.0*r\[LetterSpace]11 -1.0*r\[LetterSpace]12 -1.0*r\[LetterSpace]18, AGP'[t] == 1.0*r\[LetterSpace]6 -1.0*r\[LetterSpace]7, DBP'[t] == 0.0 , DGA'[t] == 1.0*r\[LetterSpace]9 -1.0*r\[LetterSpace]11, DHA'[t] == 1.0*r\[LetterSpace]5 +1.0*r\[LetterSpace]7 -1.0*r\[LetterSpace]6, DIH'[t] == 4.0*r\[LetterSpace]15 -1.0*r\[LetterSpace]16, DIN'[t] == 1.0*r\[LetterSpace]16 -4.0*r\[LetterSpace]15, DPH'[t] == 1.0*r\[LetterSpace]7 +1.0*r\[LetterSpace]8 +1.0*r\[LetterSpace]14 -1.0*r\[LetterSpace]6 -1.0*r\[LetterSpace]13, DPN'[t] == 1.0*r\[LetterSpace]6 +1.0*r\[LetterSpace]13 -1.0*r\[LetterSpace]7 -1.0*r\[LetterSpace]10 -1.0*r\[LetterSpace]14, ENG'[t] == 1.0*r\[LetterSpace]1 -1.0*r\[LetterSpace]2, ENZ'[t] == 1.0*r\[LetterSpace]2 -1.0*r\[LetterSpace]1, ETG'[t] == 1.0*r\[LetterSpace]3 -1.0*r\[LetterSpace]4, ETZ'[t] == 1.0*r\[LetterSpace]4 -1.0*r\[LetterSpace]3, GAP'[t] == 1.0*r\[LetterSpace]5 -1.0*r\[LetterSpace]8, GLP'[t] == 1.0*r\[LetterSpace]2 -1.0*r\[LetterSpace]3, GLU'[t] == -1.0*r\[LetterSpace]1, GPP'[t] == 1.0*r\[LetterSpace]4 -1.0*r\[LetterSpace]5, LAC'[t] == 1.0*r\[LetterSpace]13 -1.0*r\[LetterSpace]14, MOB'[t] == 1.0*r\[LetterSpace]8 -1.0*r\[LetterSpace]9, MOD'[t] == 1.0*r\[LetterSpace]10 -1.0*r\[LetterSpace]8, MOX'[t] == 1.0*r\[LetterSpace]9 -1.0*r\[LetterSpace]10, OXY'[t] == -1.0*r\[LetterSpace]16, PGA'[t] == 1.0*r\[LetterSpace]11 -1.0*r\[LetterSpace]12, PID'[t] == 1.0*r\[LetterSpace]22 -1.0*r\[LetterSpace]9 -1.0*r\[LetterSpace]17, PPP'[t] == 1.0*r\[LetterSpace]21 -1.0*r\[LetterSpace]22, PUE'[t] == 1.0*r\[LetterSpace]22 -1.0*r\[LetterSpace]21, PYR'[t] == 1.0*r\[LetterSpace]12 +1.0*r\[LetterSpace]14 -1.0*r\[LetterSpace]13 -1.0*r\[LetterSpace]15, TP1'[t] == 1.0*r\[LetterSpace]11 +1.0*r\[LetterSpace]12 +1.0*r\[LetterSpace]20 -1.0*r\[LetterSpace]2 -1.0*r\[LetterSpace]4 -1.0*r\[LetterSpace]21, TP2'[t] == 1.0*r\[LetterSpace]18 -1.0*r\[LetterSpace]20, XI'[t] == 1.0*r\[LetterSpace]18 +1.0*r\[LetterSpace]19 -3.0*r\[LetterSpace]16, XSI'[t] == 3.0*r\[LetterSpace]16 -1.0*r\[LetterSpace]17 -1.0*r\[LetterSpace]19, XSP'[t] == 1.0*r\[LetterSpace]17 -1.0*r\[LetterSpace]18 }; 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]}]