(* 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 = {
ASL\[LetterSpace]b[t], ASL\[LetterSpace]c[t], ASL\[LetterSpace]m[t], ASLoOH\[LetterSpace]b[t], ASLoOH\[LetterSpace]c[t], ASLoOH\[LetterSpace]m[t], ASLpOH\[LetterSpace]b[t], ASLpOH\[LetterSpace]c[t], ASLpOH\[LetterSpace]m[t], AS\[LetterSpace]b[t], AS\[LetterSpace]c[t], AS\[LetterSpace]m[t], ASoOH\[LetterSpace]b[t], ASoOH\[LetterSpace]c[t], ASoOH\[LetterSpace]m[t], ASpOH\[LetterSpace]b[t], ASpOH\[LetterSpace]c[t], ASpOH\[LetterSpace]m[t]
};

initialValues = {
ASL\[LetterSpace]b[0] == 0.0, ASL\[LetterSpace]c[0] == 0.0, ASL\[LetterSpace]m[0] == 30.56, ASLoOH\[LetterSpace]b[0] == 0.0, ASLoOH\[LetterSpace]c[0] == 0.0, ASLoOH\[LetterSpace]m[0] == 0.0, ASLpOH\[LetterSpace]b[0] == 0.0, ASLpOH\[LetterSpace]c[0] == 0.0, ASLpOH\[LetterSpace]m[0] == 0.0, AS\[LetterSpace]b[0] == 0.0, AS\[LetterSpace]c[0] == 0.0, AS\[LetterSpace]m[0] == 8797.15, ASoOH\[LetterSpace]b[0] == 0.0, ASoOH\[LetterSpace]c[0] == 0.0, ASoOH\[LetterSpace]m[0] == 0.0, ASpOH\[LetterSpace]b[0] == 0.0, ASpOH\[LetterSpace]c[0] == 0.0, ASpOH\[LetterSpace]m[0] == 0.0
};

rates = {
ASL\[LetterSpace]Prot, ASLoOH\[LetterSpace]Prot, ASLpOH\[LetterSpace]Prot, AS\[LetterSpace]Prot, ASoOH\[LetterSpace]Prot, ASpOH\[LetterSpace]Prot, CR\[LetterSpace]oOH, CR\[LetterSpace]pOH, CYP3A4\[LetterSpace]ASLoOH, CYP3A4\[LetterSpace]ASLpOH, CYP3A4\[LetterSpace]ASoOH, CYP3A4\[LetterSpace]ASpOH, Export\[LetterSpace]AS, Export\[LetterSpace]ASL, Export\[LetterSpace]ASLoOH, Export\[LetterSpace]ASLpOH, Export\[LetterSpace]ASoOH, Export\[LetterSpace]ASpOH, Import\[LetterSpace]AS, Import\[LetterSpace]ASL, Import\[LetterSpace]ASLoOH, Import\[LetterSpace]ASLpOH, Import\[LetterSpace]ASoOH, Import\[LetterSpace]ASpOH, R\[LetterSpace]ASASL\[LetterSpace]c, R\[LetterSpace]ASASL\[LetterSpace]m, R\[LetterSpace]oOH\[LetterSpace]m, R\[LetterSpace]pOH\[LetterSpace]m, UGT1A3\[LetterSpace]AS
};

rateEquations = {
ASL\[LetterSpace]Prot -> Prot\[LetterSpace]k1*(-ASL\[LetterSpace]b[t] + ((1 - fu\[LetterSpace]ASL)*ASL\[LetterSpace]c[t])/fu\[LetterSpace]ASL), ASLoOH\[LetterSpace]Prot -> Prot\[LetterSpace]k1*(-ASLoOH\[LetterSpace]b[t] + ((1 - fu\[LetterSpace]ASL)*ASLoOH\[LetterSpace]c[t])/fu\[LetterSpace]ASL), ASLpOH\[LetterSpace]Prot -> Prot\[LetterSpace]k1*(-ASLpOH\[LetterSpace]b[t] + ((1 - fu\[LetterSpace]ASL)*ASLpOH\[LetterSpace]c[t])/fu\[LetterSpace]ASL), AS\[LetterSpace]Prot -> Prot\[LetterSpace]k1*(-AS\[LetterSpace]b[t] + ((1 - fu\[LetterSpace]AS)*AS\[LetterSpace]c[t])/fu\[LetterSpace]AS), ASoOH\[LetterSpace]Prot -> Prot\[LetterSpace]k1*(-ASoOH\[LetterSpace]b[t] + ((1 - fu\[LetterSpace]AS)*ASoOH\[LetterSpace]c[t])/fu\[LetterSpace]AS), ASpOH\[LetterSpace]Prot -> Prot\[LetterSpace]k1*(-ASpOH\[LetterSpace]b[t] + ((1 - fu\[LetterSpace]AS)*ASpOH\[LetterSpace]c[t])/fu\[LetterSpace]AS), CR\[LetterSpace]oOH -> (k\[LetterSpace]CR\[LetterSpace]ASL\[LetterSpace]c + k\[LetterSpace]PON\[LetterSpace]OH\[LetterSpace]c)*ASLoOH\[LetterSpace]c[t], CR\[LetterSpace]pOH -> (k\[LetterSpace]CR\[LetterSpace]ASL\[LetterSpace]c + k\[LetterSpace]PON\[LetterSpace]OH\[LetterSpace]c)*ASLpOH\[LetterSpace]c[t], CYP3A4\[LetterSpace]ASLoOH -> (CYP3A4\[LetterSpace]ASLoOH\[LetterSpace]Vmax*ASL\[LetterSpace]c[t])/(CYP3A4\[LetterSpace]ASLoOH\[LetterSpace]Km1*(1 + ASL\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASLoOH\[LetterSpace]Km1 + ASL\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASLpOH\[LetterSpace]Km1 + AS\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASoOH\[LetterSpace]Km1 + AS\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASpOH\[LetterSpace]Km1)), CYP3A4\[LetterSpace]ASLpOH -> (CYP3A4\[LetterSpace]ASLpOH\[LetterSpace]Vmax*ASL\[LetterSpace]c[t])/(CYP3A4\[LetterSpace]ASLpOH\[LetterSpace]Km1*(1 + ASL\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASLoOH\[LetterSpace]Km1 + ASL\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASLpOH\[LetterSpace]Km1 + AS\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASoOH\[LetterSpace]Km1 + AS\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASpOH\[LetterSpace]Km1)), CYP3A4\[LetterSpace]ASoOH -> (CYP3A4\[LetterSpace]ASoOH\[LetterSpace]Vmax*AS\[LetterSpace]c[t])/(CYP3A4\[LetterSpace]ASoOH\[LetterSpace]Km1*(1 + ASL\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASLoOH\[LetterSpace]Km1 + ASL\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASLpOH\[LetterSpace]Km1 + AS\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASoOH\[LetterSpace]Km1 + AS\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASpOH\[LetterSpace]Km1)), CYP3A4\[LetterSpace]ASpOH -> (CYP3A4\[LetterSpace]ASpOH\[LetterSpace]Vmax*AS\[LetterSpace]c[t])/(CYP3A4\[LetterSpace]ASpOH\[LetterSpace]Km1*(1 + ASL\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASLoOH\[LetterSpace]Km1 + ASL\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASLpOH\[LetterSpace]Km1 + AS\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASoOH\[LetterSpace]Km1 + AS\[LetterSpace]c[t]/CYP3A4\[LetterSpace]ASpOH\[LetterSpace]Km1)), Export\[LetterSpace]AS -> Export\[LetterSpace]AS\[LetterSpace]k*AS\[LetterSpace]c[t], Export\[LetterSpace]ASL -> Export\[LetterSpace]ASL\[LetterSpace]k*ASL\[LetterSpace]c[t], Export\[LetterSpace]ASLoOH -> Export\[LetterSpace]ASLoOH\[LetterSpace]k*ASLoOH\[LetterSpace]c[t], Export\[LetterSpace]ASLpOH -> Export\[LetterSpace]ASLpOH\[LetterSpace]k*ASLpOH\[LetterSpace]c[t], Export\[LetterSpace]ASoOH -> Export\[LetterSpace]ASoOH\[LetterSpace]k*ASoOH\[LetterSpace]c[t], Export\[LetterSpace]ASpOH -> Export\[LetterSpace]ASpOH\[LetterSpace]k*ASpOH\[LetterSpace]c[t], Import\[LetterSpace]AS -> Import\[LetterSpace]AS\[LetterSpace]k*AS\[LetterSpace]m[t], Import\[LetterSpace]ASL -> Import\[LetterSpace]ASL\[LetterSpace]k*ASL\[LetterSpace]m[t], Import\[LetterSpace]ASLoOH -> Import\[LetterSpace]ASLoOH\[LetterSpace]k*ASLoOH\[LetterSpace]m[t], Import\[LetterSpace]ASLpOH -> Import\[LetterSpace]ASLpOH\[LetterSpace]k*ASLpOH\[LetterSpace]m[t], Import\[LetterSpace]ASoOH -> Import\[LetterSpace]ASoOH\[LetterSpace]k*ASoOH\[LetterSpace]m[t], Import\[LetterSpace]ASpOH -> Import\[LetterSpace]ASpOH\[LetterSpace]k*ASpOH\[LetterSpace]m[t], R\[LetterSpace]ASASL\[LetterSpace]c -> (k\[LetterSpace]CR\[LetterSpace]ASL\[LetterSpace]c + k\[LetterSpace]PON\[LetterSpace]ASL\[LetterSpace]c)*ASL\[LetterSpace]c[t], R\[LetterSpace]ASASL\[LetterSpace]m -> k\[LetterSpace]CR\[LetterSpace]ASL\[LetterSpace]m*ASL\[LetterSpace]m[t], R\[LetterSpace]oOH\[LetterSpace]m -> k\[LetterSpace]CR\[LetterSpace]ASL\[LetterSpace]m*ASLoOH\[LetterSpace]m[t], R\[LetterSpace]pOH\[LetterSpace]m -> k\[LetterSpace]CR\[LetterSpace]ASL\[LetterSpace]m*ASLpOH\[LetterSpace]m[t], UGT1A3\[LetterSpace]AS -> (UGT1A3\[LetterSpace]AS\[LetterSpace]Vmax*AS\[LetterSpace]c[t])/(UGT1A3\[LetterSpace]AS\[LetterSpace]Km1 + AS\[LetterSpace]c[t] + AS\[LetterSpace]c[t]^2/UGT1A3\[LetterSpace]AS\[LetterSpace]KI1)
};

parameters = {
CYP3A4\[LetterSpace]ASLoOH\[LetterSpace]Km1 -> 3900.0, CYP3A4\[LetterSpace]ASLoOH\[LetterSpace]Vmax -> 39.1342, CYP3A4\[LetterSpace]ASLpOH\[LetterSpace]Km1 -> 1400.0, CYP3A4\[LetterSpace]ASLpOH\[LetterSpace]Vmax -> 17.4446, CYP3A4\[LetterSpace]ASoOH\[LetterSpace]Km1 -> 29700.0, CYP3A4\[LetterSpace]ASoOH\[LetterSpace]Vmax -> 47.4985, CYP3A4\[LetterSpace]ASpOH\[LetterSpace]Km1 -> 25600.0, CYP3A4\[LetterSpace]ASpOH\[LetterSpace]Vmax -> 15.7336, Export\[LetterSpace]ASL\[LetterSpace]k -> 0.021822, Export\[LetterSpace]ASLoOH\[LetterSpace]k -> 0.0026674, Export\[LetterSpace]ASLpOH\[LetterSpace]k -> 0.0011319, Export\[LetterSpace]AS\[LetterSpace]k -> 0.002166, Export\[LetterSpace]ASoOH\[LetterSpace]k -> 0.0015983, Export\[LetterSpace]ASpOH\[LetterSpace]k -> 0.00079526, Import\[LetterSpace]ASL\[LetterSpace]k -> 0.2754, Import\[LetterSpace]ASLoOH\[LetterSpace]k -> 0.026122, Import\[LetterSpace]ASLpOH\[LetterSpace]k -> 0.033729, Import\[LetterSpace]AS\[LetterSpace]k -> 0.020335, Import\[LetterSpace]ASoOH\[LetterSpace]k -> 0.00038875, Import\[LetterSpace]ASpOH\[LetterSpace]k -> 0.0039614, Prot\[LetterSpace]k1 -> 8.52, UGT1A3\[LetterSpace]AS\[LetterSpace]KI1 -> 75000.0, UGT1A3\[LetterSpace]AS\[LetterSpace]Km1 -> 12000.0, UGT1A3\[LetterSpace]AS\[LetterSpace]Vmax -> 13.5862, fu\[LetterSpace]AS -> 0.22, fu\[LetterSpace]ASL -> 0.22, k\[LetterSpace]CR\[LetterSpace]ASL\[LetterSpace]c -> 3.55*^-05, k\[LetterSpace]CR\[LetterSpace]ASL\[LetterSpace]m -> 0.005, k\[LetterSpace]PON\[LetterSpace]ASL\[LetterSpace]c -> 0.0043734, k\[LetterSpace]PON\[LetterSpace]OH\[LetterSpace]c -> 0.0039829, cell -> 0.0142, compartment -> 1.0, medium -> 2.0
};

assignments = {

};

events = {

};

speciesAnnotations = {

};

reactionAnnotations = {

};

units = {
{"time" -> "", "metabolite" -> "", "extent" -> ""}
};

(* Time evolution *)
odes = {
ASL\[LetterSpace]b'[t] == 1.0*ASL\[LetterSpace]Prot , ASL\[LetterSpace]c'[t] == 1.0*Import\[LetterSpace]ASL +1.0*UGT1A3\[LetterSpace]AS -1.0*CYP3A4\[LetterSpace]ASLpOH -1.0*CYP3A4\[LetterSpace]ASLoOH -1.0*R\[LetterSpace]ASASL\[LetterSpace]c -1.0*Export\[LetterSpace]ASL -1.0*ASL\[LetterSpace]Prot, ASL\[LetterSpace]m'[t] == 1.0*Export\[LetterSpace]ASL -1.0*Import\[LetterSpace]ASL -1.0*R\[LetterSpace]ASASL\[LetterSpace]m, ASLoOH\[LetterSpace]b'[t] == 1.0*ASLoOH\[LetterSpace]Prot , ASLoOH\[LetterSpace]c'[t] == 1.0*CYP3A4\[LetterSpace]ASLoOH +1.0*Import\[LetterSpace]ASLoOH -1.0*CR\[LetterSpace]oOH -1.0*ASLoOH\[LetterSpace]Prot -1.0*Export\[LetterSpace]ASLoOH, ASLoOH\[LetterSpace]m'[t] == 1.0*Export\[LetterSpace]ASLoOH -1.0*Import\[LetterSpace]ASLoOH -1.0*R\[LetterSpace]oOH\[LetterSpace]m, ASLpOH\[LetterSpace]b'[t] == 1.0*ASLpOH\[LetterSpace]Prot , ASLpOH\[LetterSpace]c'[t] == 1.0*CYP3A4\[LetterSpace]ASLpOH +1.0*Import\[LetterSpace]ASLpOH -1.0*CR\[LetterSpace]pOH -1.0*ASLpOH\[LetterSpace]Prot -1.0*Export\[LetterSpace]ASLpOH, ASLpOH\[LetterSpace]m'[t] == 1.0*Export\[LetterSpace]ASLpOH -1.0*Import\[LetterSpace]ASLpOH -1.0*R\[LetterSpace]pOH\[LetterSpace]m, AS\[LetterSpace]b'[t] == 1.0*AS\[LetterSpace]Prot , AS\[LetterSpace]c'[t] == 1.0*Import\[LetterSpace]AS +1.0*R\[LetterSpace]ASASL\[LetterSpace]c -1.0*CYP3A4\[LetterSpace]ASpOH -1.0*CYP3A4\[LetterSpace]ASoOH -1.0*UGT1A3\[LetterSpace]AS -1.0*Export\[LetterSpace]AS -1.0*AS\[LetterSpace]Prot, AS\[LetterSpace]m'[t] == 1.0*Export\[LetterSpace]AS +1.0*R\[LetterSpace]ASASL\[LetterSpace]m -1.0*Import\[LetterSpace]AS, ASoOH\[LetterSpace]b'[t] == 1.0*ASoOH\[LetterSpace]Prot , ASoOH\[LetterSpace]c'[t] == 1.0*CYP3A4\[LetterSpace]ASoOH +1.0*CR\[LetterSpace]oOH +1.0*Import\[LetterSpace]ASoOH -1.0*Export\[LetterSpace]ASoOH -1.0*ASoOH\[LetterSpace]Prot, ASoOH\[LetterSpace]m'[t] == 1.0*Export\[LetterSpace]ASoOH +1.0*R\[LetterSpace]oOH\[LetterSpace]m -1.0*Import\[LetterSpace]ASoOH, ASpOH\[LetterSpace]b'[t] == 1.0*ASpOH\[LetterSpace]Prot , ASpOH\[LetterSpace]c'[t] == 1.0*CYP3A4\[LetterSpace]ASpOH +1.0*CR\[LetterSpace]pOH +1.0*Import\[LetterSpace]ASpOH -1.0*ASpOH\[LetterSpace]Prot -1.0*Export\[LetterSpace]ASpOH, ASpOH\[LetterSpace]m'[t] == 1.0*R\[LetterSpace]pOH\[LetterSpace]m +1.0*Export\[LetterSpace]ASpOH -1.0*Import\[LetterSpace]ASpOH
};
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]}]