// This model generated automatically from SBML

// unit definitions
import nsrunit;
unit conversion off;

// SBML property definitions
property sbmlRole=string;
property sbmlName=string;
property sbmlCompartment=string;

// SBML reactions
// R1: ADP NAD halfglucose <=> ATP NADH pyruvate 
// R2: NADH pyruvate <=> NAD lactate 
// R3: NAD pyruvate CoA <=> NADH AcCoA 
// R4: AcCoA PO4 <=> CoA AcP 
// R5: ADP AcP <=> ATP Ac 
// R6: NADH AcCoA <=> NAD CoA AcO 
// R7: NADH AcO <=> NAD EtOH 
// R8: 2pyruvate <=> AcLac 
// R9: AcLac <=> AcetoinIn 
// R10: AcetoinIn <=> AcetoinOut 
// R11: NADH AcetoinIn <=> NAD Butanediol 
// R12: ATP <=> ADP 
// R13: NADH O2 <=> NAD 
// R14: AcLac <=> AcetoinIn 

math main {
  realDomain time second;
  time.min=0;
  extern time.max;
  extern time.delta;

  // variable definitions
  real compartment = 1 L;
  real ADP(time) mmol;
  real NAD(time) mmol;
  real ATP(time) mmol;
  real NADH(time) mmol;
  real pyruvate(time) mmol;
  real lactate = .1 mmol;
  real CoA(time) mmol;
  real halfglucose = 30 mmol;
  real AcCoA(time) mmol;
  real AcP(time) mmol;
  real Ac = 1 mmol;
  real AcO(time) mmol;
  real EtOH = 1 mmol;
  real AcLac(time) mmol;
  real AcetoinIn(time) mmol;
  real AcetoinOut = 0 mmol;
  real Butanediol = .01 mmol;
  real O2 = .2 mmol;
  real PO4 mM;
  real R1(time) mmol/min;
  real V_1 = 2397;
  real Kglc_1 = .1;
  real Knad_1 = .1412;
  real Kadp_1 = .04699;
  real Kpyr_1 = 2.5;
  real Knadh_1 = .08999;
  real Katp_1 = .01867;
  real R2(time) mmol/min;
  real V_2 = 5118;
  real Keq_2 = 21120.69;
  real Kpyr_2 = 1.5;
  real Knadh_2 = .08;
  real Klac_2 = 100;
  real Knad_2 = 2.4;
  real R3(time) mmol/min;
  real V_3 = 259;
  real Kpyr_3 = 1;
  real Knad_3 = .4;
  real Kcoa_3 = .014;
  real Ki_3 = 46.4159;
  real Knadh_3 = .1;
  real Kaccoa_3 = .008;
  real R4(time) mmol/min;
  real V_4 = 42;
  real Keq_4 = .0065;
  real Kiaccoa_4 = .2;
  real Kpi_4 = 2.6;
  real Kipi_4 = 2.6;
  real Kiacp_4 = .2;
  real Kicoa_4 = .029;
  real Kacp_4 = .7;
  real R5(time) mmol/min;
  real V_5 = 2700;
  real Keq_5 = 174.217;
  real Kadp_5 = .5;
  real Kacp_5 = .16;
  real Kac_5 = 7;
  real Katp_5 = .07;
  real R6(time) mmol/min;
  real V_6 = 97;
  real Keq_6 = 1;
  real Kaccoa_6 = .007;
  real Knadh_6 = .025;
  real Knad_6 = .08;
  real Kcoa_6 = .008;
  real Kaco_6 = 10;
  real R7(time) mmol/min;
  real V_7 = 162;
  real Keq_7 = 12354.9;
  real Kaco_7 = .03;
  real Knadh_7 = .05;
  real Knad_7 = .08;
  real Ketoh_7 = 1;
  real R8(time) mmol/min;
  real V_8 = 600;
  real Kpyr_8 = 50;
  real Keq_8 = 9E12;
  real Kaclac_8 = 100;
  real n_8 = 2.4;
  real R9(time) mmol/min;
  real V_9 = 106;
  real Kaclac_9 = 10;
  real Kacet_9 = 100;
  real R10(time) mmol/min;
  real V_10 = 200;
  real Kacet_10 = 5;
  real R11(time) mmol/min;
  real V_11 = 105;
  real Keq_11 = 1400;
  real Kacet_11 = .06;
  real Knadh_11 = .02;
  real Kbut_11 = 2.6;
  real Knad_11 = .16;
  real R12(time) mmol/min;
  real V_12 = 900;
  real Katp_12 = 6.196;
  real n_12 = 2.58;
  real R13(time) mmol/min;
  real V_13 = 118;
  real Knadh_13 = .041;
  real Ko_13 = .2;
  real Knad_13 = 1;
  real R14(time) mmol/min;
  real k_14 = 3E-4;

  // equations
  when (time=time.min) ADP = 4.9;
  ADP:time = -1*R1 + -1*R5 + R12;
  when (time=time.min) NAD = 6.33;
  NAD:time = -1*R1 + R2 + -1*R3 + R6 + R7 + R11 + R13;
  when (time=time.min) ATP = .1;
  ATP:time = R1 + R5 + -1*R12;
  when (time=time.min) NADH = 3.67;
  NADH:time = R1 + -1*R2 + R3 + -1*R6 + -1*R7 + -1*R11 + -1*R13;
  when (time=time.min) pyruvate = 1;
  pyruvate:time = R1 + -1*R2 + -1*R3 + -2*R8;
  when (time=time.min) CoA = 1;
  CoA:time = -1*R3 + R4 + R6;
  when (time=time.min) AcCoA = 0;
  AcCoA:time = R3 + -1*R4 + -1*R6;
  when (time=time.min) AcP = 0;
  AcP:time = R4 + -1*R5;
  when (time=time.min) AcO = 0;
  AcO:time = R6 + -1*R7;
  when (time=time.min) AcLac = 0;
  AcLac:time = R8 + -1*R9 + -1*R14;
  when (time=time.min) AcetoinIn = 0;
  AcetoinIn:time = R9 + -1*R10 + -1*R11 + R14;
  when (time=time.min) PO4 = 10/compartment;
  R1 = 2*V_1*(halfglucose/(2*Kglc_1))*(NAD/Knad_1)*(ADP/Kadp_1)/((1+halfglucose/(2*Kglc_1)+pyruvate/Kpyr_1)*(1+NAD/Knad_1+NADH/Knadh_1)*(1+ADP/Kadp_1+ATP/Katp_1));
  R2 = V_2*((pyruvate*NADH-lactate*NAD/Keq_2)/(Kpyr_2*Knadh_2))/((1+pyruvate/Kpyr_2+lactate/Klac_2)*(1+NADH/Knadh_2+NAD/Knad_2));
  R3 = V_3*(pyruvate/Kpyr_3)*(NAD/Knad_3)*(CoA/Kcoa_3)*(NAD/(NAD+Ki_3*NADH))/((1+pyruvate/Kpyr_3)*(1+NAD/Knad_3+NADH/Knadh_3)*(1+CoA/Kcoa_3+AcCoA/Kaccoa_3));
  R4 = V_4*((AcCoA*PO4-AcP*CoA/Keq_4)/(Kiaccoa_4*Kpi_4))/(1+AcCoA/Kiaccoa_4+PO4/Kipi_4+AcP/Kiacp_4+CoA/Kicoa_4+AcCoA*PO4/(Kiaccoa_4*Kpi_4)+AcP*CoA/(Kacp_4*Kicoa_4));
  R5 = V_5*((AcP*ADP-Ac*ATP/Keq_5)/(Kadp_5*Kacp_5))/((1+AcP/Kacp_5+Ac/Kac_5)*(1+ADP/Kadp_5+ATP/Katp_5));
  R6 = V_6*((AcCoA*NADH-CoA*NAD*AcO/Keq_6)/(Kaccoa_6*Knadh_6))/((1+NAD/Knad_6+NADH/Knadh_6)*(1+AcCoA/Kaccoa_6+CoA/Kcoa_6)*(1+AcO/Kaco_6));
  R7 = V_7*((AcO*NADH-EtOH*NAD/Keq_7)/(Kaco_7*Knadh_7))/((1+NAD/Knad_7+NADH/Knadh_7)*(1+AcO/Kaco_7+EtOH/Ketoh_7));
  R8 = V_8*(pyruvate/Kpyr_8)*(1-AcLac/(pyruvate*Keq_8))*(pyruvate/Kpyr_8+AcLac/Kaclac_8)^(n_8-1)/(1+(pyruvate/Kpyr_8+AcLac/Kaclac_8)^n_8);
  R9 = V_9*(AcLac/Kaclac_9)/(1+AcLac/Kaclac_9+AcetoinIn/Kacet_9);
  R10 = V_10*(AcetoinIn/Kacet_10)/(1+AcetoinIn/Kacet_10);
  R11 = V_11*((AcetoinIn*NADH-Butanediol*NAD/Keq_11)/(Kacet_11*Knadh_11))/((1+AcetoinIn/Kacet_11+Butanediol/Kbut_11)*(1+NADH/Knadh_11+NAD/Knad_11));
  R12 = V_12*(ATP/(ADP*Katp_12))^n_12/(1+(ATP/(ADP*Katp_12))^n_12);
  R13 = V_13*(NADH*O2/(Knadh_13*Ko_13))/((1+NADH/Knadh_13+NAD/Knad_13)*(1+O2/Ko_13));
  R14 = k_14*AcLac;

  // variable properties
  compartment.sbmlRole="compartment";
  ADP.sbmlRole="species";
  ADP.sbmlCompartment="compartment";
  NAD.sbmlRole="species";
  NAD.sbmlCompartment="compartment";
  ATP.sbmlRole="species";
  ATP.sbmlCompartment="compartment";
  NADH.sbmlRole="species";
  NADH.sbmlCompartment="compartment";
  pyruvate.sbmlRole="species";
  pyruvate.sbmlCompartment="compartment";
  lactate.sbmlRole="species";
  lactate.sbmlCompartment="compartment";
  CoA.sbmlRole="species";
  CoA.sbmlCompartment="compartment";
  halfglucose.sbmlRole="species";
  halfglucose.sbmlCompartment="compartment";
  AcCoA.sbmlRole="species";
  AcCoA.sbmlCompartment="compartment";
  AcP.sbmlRole="species";
  AcP.sbmlCompartment="compartment";
  Ac.sbmlRole="species";
  Ac.sbmlCompartment="compartment";
  AcO.sbmlRole="species";
  AcO.sbmlCompartment="compartment";
  EtOH.sbmlRole="species";
  EtOH.sbmlCompartment="compartment";
  AcLac.sbmlRole="species";
  AcLac.sbmlCompartment="compartment";
  AcetoinIn.sbmlRole="species";
  AcetoinIn.sbmlCompartment="compartment";
  AcetoinOut.sbmlRole="species";
  AcetoinOut.sbmlCompartment="compartment";
  Butanediol.sbmlRole="species";
  Butanediol.sbmlCompartment="compartment";
  O2.sbmlRole="species";
  O2.sbmlCompartment="compartment";
  PO4.sbmlRole="species";
  PO4.sbmlCompartment="compartment";
  R1.sbmlRole="rate";
  V_1.sbmlRole="parameter";
  Kglc_1.sbmlRole="parameter";
  Knad_1.sbmlRole="parameter";
  Kadp_1.sbmlRole="parameter";
  Kpyr_1.sbmlRole="parameter";
  Knadh_1.sbmlRole="parameter";
  Katp_1.sbmlRole="parameter";
  R2.sbmlRole="rate";
  V_2.sbmlRole="parameter";
  Keq_2.sbmlRole="parameter";
  Kpyr_2.sbmlRole="parameter";
  Knadh_2.sbmlRole="parameter";
  Klac_2.sbmlRole="parameter";
  Knad_2.sbmlRole="parameter";
  R3.sbmlRole="rate";
  V_3.sbmlRole="parameter";
  Kpyr_3.sbmlRole="parameter";
  Knad_3.sbmlRole="parameter";
  Kcoa_3.sbmlRole="parameter";
  Ki_3.sbmlRole="parameter";
  Knadh_3.sbmlRole="parameter";
  Kaccoa_3.sbmlRole="parameter";
  R4.sbmlRole="rate";
  V_4.sbmlRole="parameter";
  Keq_4.sbmlRole="parameter";
  Kiaccoa_4.sbmlRole="parameter";
  Kpi_4.sbmlRole="parameter";
  Kipi_4.sbmlRole="parameter";
  Kiacp_4.sbmlRole="parameter";
  Kicoa_4.sbmlRole="parameter";
  Kacp_4.sbmlRole="parameter";
  R5.sbmlRole="rate";
  V_5.sbmlRole="parameter";
  Keq_5.sbmlRole="parameter";
  Kadp_5.sbmlRole="parameter";
  Kacp_5.sbmlRole="parameter";
  Kac_5.sbmlRole="parameter";
  Katp_5.sbmlRole="parameter";
  R6.sbmlRole="rate";
  V_6.sbmlRole="parameter";
  Keq_6.sbmlRole="parameter";
  Kaccoa_6.sbmlRole="parameter";
  Knadh_6.sbmlRole="parameter";
  Knad_6.sbmlRole="parameter";
  Kcoa_6.sbmlRole="parameter";
  Kaco_6.sbmlRole="parameter";
  R7.sbmlRole="rate";
  V_7.sbmlRole="parameter";
  Keq_7.sbmlRole="parameter";
  Kaco_7.sbmlRole="parameter";
  Knadh_7.sbmlRole="parameter";
  Knad_7.sbmlRole="parameter";
  Ketoh_7.sbmlRole="parameter";
  R8.sbmlRole="rate";
  V_8.sbmlRole="parameter";
  Kpyr_8.sbmlRole="parameter";
  Keq_8.sbmlRole="parameter";
  Kaclac_8.sbmlRole="parameter";
  n_8.sbmlRole="parameter";
  R9.sbmlRole="rate";
  V_9.sbmlRole="parameter";
  Kaclac_9.sbmlRole="parameter";
  Kacet_9.sbmlRole="parameter";
  R10.sbmlRole="rate";
  V_10.sbmlRole="parameter";
  Kacet_10.sbmlRole="parameter";
  R11.sbmlRole="rate";
  V_11.sbmlRole="parameter";
  Keq_11.sbmlRole="parameter";
  Kacet_11.sbmlRole="parameter";
  Knadh_11.sbmlRole="parameter";
  Kbut_11.sbmlRole="parameter";
  Knad_11.sbmlRole="parameter";
  R12.sbmlRole="rate";
  V_12.sbmlRole="parameter";
  Katp_12.sbmlRole="parameter";
  n_12.sbmlRole="parameter";
  R13.sbmlRole="rate";
  V_13.sbmlRole="parameter";
  Knadh_13.sbmlRole="parameter";
  Ko_13.sbmlRole="parameter";
  Knad_13.sbmlRole="parameter";
  R14.sbmlRole="rate";
  k_14.sbmlRole="parameter";
}