// 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 // ATPflow: => ATP // ADPflow: => ADP // NADHflow: => NADH // NADflow: => NAD // GLCflow: => GLC // F6Pflow: F6P // FBPflow: FBP // GAPflow: GAP // DPGflow: DPG // PEPflow: PEP // PYRflow: PYR // ACAflow: ACA // EtOHflow: EtOH // AMPflow: AMP // Pflow: P // reaction_1: GLC ATP <=> F6P ADP // reaction_2: F6P ATP <=> FBP ADP // reaction_3: FBP => 2GAP // reaction_4: GAP NAD <=> DPG NADH // reaction_5: DPG ADP => PEP ATP // reaction_6: PEP ADP <=> PYR ATP // reaction_7: PYR <=> ACA // reaction_8: ACA NADH => EtOH NAD // reaction_9: AMP ATP => 2ADP // reaction_10: F6P <=> P math main { realDomain time second; time.min=0; extern time.max; extern time.delta; // variable definitions real compartment = 1 L; real V1 = .5; real K1GLC = .1; real K1ATP = .063; real V2 = 1.5; real K2 = .0016; real k2 = .017; real K2ATP = .01; real k3f = 1; real k3b = 50; real V4 = 10; real K4GAP = 1; real K4NAD = 1; real k5f = 1; real k5b = .5; real V6 = 10; real K6PEP = .2; real K6ADP = .3; real V7 = 2; real K7PYR = .3; real k8f = 1; real k8b = 1.43E-4; real k9f = 10; real k9b = 10; real k10 = .05; real flow = .011; real ATP(time) mM; real ADP(time) mM; real AMP(time) mM; real GLC(time) mM; real F6P(time) mM; real FBP(time) mM; real GAP(time) mM; real NAD(time) mM; real NADH(time) mM; real DPG(time) mM; real PEP(time) mM; real PYR(time) mM; real ACA(time) mM; real EtOH(time) mM; real P(time) mM; real ATPflow(time) mmol/min; real ADPflow(time) mmol/min; real NADHflow(time) mmol/min; real NADflow(time) mmol/min; real GLCflow(time) mmol/min; real F6Pflow(time) mmol/min; real FBPflow(time) mmol/min; real GAPflow(time) mmol/min; real DPGflow(time) mmol/min; real PEPflow(time) mmol/min; real PYRflow(time) mmol/min; real ACAflow(time) mmol/min; real EtOHflow(time) mmol/min; real AMPflow(time) mmol/min; real Pflow(time) mmol/min; real reaction_1(time) mmol/min; real reaction_2(time) mmol/min; real reaction_3(time) mmol/min; real reaction_4(time) mmol/min; real reaction_5(time) mmol/min; real reaction_6(time) mmol/min; real reaction_7(time) mmol/min; real reaction_8(time) mmol/min; real reaction_9(time) mmol/min; real reaction_10(time) mmol/min; // equations when (time=time.min) ATP = 4.49064/compartment; ATP:time = (ATPflow + -1*reaction_1 + -1*reaction_2 + reaction_5 + reaction_6 + -1*reaction_9)/compartment; when (time=time.min) ADP = .108367/compartment; ADP:time = (ADPflow + reaction_1 + reaction_2 + -1*reaction_5 + -1*reaction_6 + 2*reaction_9)/compartment; when (time=time.min) AMP = .00261149/compartment; AMP:time = (-1*AMPflow + -1*reaction_9)/compartment; when (time=time.min) GLC = .0112817/compartment; GLC:time = (GLCflow + -1*reaction_1)/compartment; when (time=time.min) F6P = .65939/compartment; F6P:time = (-1*F6Pflow + reaction_1 + -1*reaction_2 + -1*reaction_10)/compartment; when (time=time.min) FBP = .00770135/compartment; FBP:time = (-1*FBPflow + reaction_2 + -1*reaction_3)/compartment; when (time=time.min) GAP = .00190919/compartment; GAP:time = (-1*GAPflow + 2*reaction_3 + -1*reaction_4)/compartment; when (time=time.min) NAD = 3.62057/compartment; NAD:time = (NADflow + -1*reaction_4 + reaction_8)/compartment; when (time=time.min) NADH = .616118/compartment; NADH:time = (NADHflow + reaction_4 + -1*reaction_8)/compartment; when (time=time.min) DPG = .299109/compartment; DPG:time = (-1*DPGflow + reaction_4 + -1*reaction_5)/compartment; when (time=time.min) PEP = .0021125/compartment; PEP:time = (-1*PEPflow + reaction_5 + -1*reaction_6)/compartment; when (time=time.min) PYR = .00422702/compartment; PYR:time = (-1*PYRflow + reaction_6 + -1*reaction_7)/compartment; when (time=time.min) ACA = .0738334/compartment; ACA:time = (-1*ACAflow + reaction_7 + -1*reaction_8)/compartment; when (time=time.min) EtOH = .33981/compartment; EtOH:time = (-1*EtOHflow + reaction_8)/compartment; when (time=time.min) P = 0; P:time = (-1*Pflow + reaction_10)/compartment; ATPflow = compartment*(3.5-ATP)*flow; ADPflow = compartment*(1.1-ADP)*flow; NADHflow = compartment*(.24-NADH)*flow; NADflow = compartment*(4-NAD)*flow; GLCflow = compartment*(50-GLC)*flow; F6Pflow = compartment*F6P*flow; FBPflow = compartment*FBP*flow; GAPflow = compartment*GAP*flow; DPGflow = compartment*DPG*flow; PEPflow = compartment*PEP*flow; PYRflow = compartment*PYR*flow; ACAflow = compartment*ACA*flow; EtOHflow = compartment*EtOH*flow; AMPflow = compartment*AMP*flow; Pflow = compartment*P*flow; reaction_1 = compartment*(V1*ATP*GLC/((K1GLC+GLC)*(K1ATP+ATP))); reaction_2 = compartment*(V2*ATP*F6P^2/((K2*(1+k2*(ATP/AMP)^2)+F6P^2)*(K2ATP+ATP))); reaction_3 = compartment*(k3f*FBP-k3b*GAP^2); reaction_4 = compartment*(V4*NAD*GAP/((K4GAP+GAP)*(K4NAD+NAD))); reaction_5 = compartment*(k5f*DPG*ADP-k5b*PEP*ATP); reaction_6 = compartment*(V6*ADP*PEP/((K6PEP+PEP)*(K6ADP+ADP))); reaction_7 = compartment*(V7*PYR/(K7PYR+PYR)); reaction_8 = compartment*(k8f*NADH*ACA-k8b*NAD*EtOH); reaction_9 = compartment*(k9f*AMP*ATP-k9b*ADP^2); reaction_10 = compartment*k10*F6P; // variable properties compartment.sbmlRole="compartment"; V1.sbmlRole="parameter"; K1GLC.sbmlRole="parameter"; K1ATP.sbmlRole="parameter"; V2.sbmlRole="parameter"; K2.sbmlRole="parameter"; k2.sbmlRole="parameter"; K2ATP.sbmlRole="parameter"; k3f.sbmlRole="parameter"; k3b.sbmlRole="parameter"; V4.sbmlRole="parameter"; K4GAP.sbmlRole="parameter"; K4NAD.sbmlRole="parameter"; k5f.sbmlRole="parameter"; k5b.sbmlRole="parameter"; V6.sbmlRole="parameter"; K6PEP.sbmlRole="parameter"; K6ADP.sbmlRole="parameter"; V7.sbmlRole="parameter"; K7PYR.sbmlRole="parameter"; k8f.sbmlRole="parameter"; k8b.sbmlRole="parameter"; k9f.sbmlRole="parameter"; k9b.sbmlRole="parameter"; k10.sbmlRole="parameter"; flow.sbmlRole="parameter"; ATP.sbmlRole="species"; ATP.sbmlCompartment="compartment"; ADP.sbmlRole="species"; ADP.sbmlCompartment="compartment"; AMP.sbmlRole="species"; AMP.sbmlCompartment="compartment"; GLC.sbmlRole="species"; GLC.sbmlCompartment="compartment"; F6P.sbmlRole="species"; F6P.sbmlCompartment="compartment"; FBP.sbmlRole="species"; FBP.sbmlCompartment="compartment"; GAP.sbmlRole="species"; GAP.sbmlCompartment="compartment"; NAD.sbmlRole="species"; NAD.sbmlCompartment="compartment"; NADH.sbmlRole="species"; NADH.sbmlCompartment="compartment"; DPG.sbmlRole="species"; DPG.sbmlCompartment="compartment"; PEP.sbmlRole="species"; PEP.sbmlCompartment="compartment"; PYR.sbmlRole="species"; PYR.sbmlCompartment="compartment"; ACA.sbmlRole="species"; ACA.sbmlCompartment="compartment"; EtOH.sbmlRole="species"; EtOH.sbmlCompartment="compartment"; P.sbmlRole="species"; P.sbmlCompartment="compartment"; ATPflow.sbmlRole="rate"; ADPflow.sbmlRole="rate"; NADHflow.sbmlRole="rate"; NADflow.sbmlRole="rate"; GLCflow.sbmlRole="rate"; F6Pflow.sbmlRole="rate"; FBPflow.sbmlRole="rate"; GAPflow.sbmlRole="rate"; DPGflow.sbmlRole="rate"; PEPflow.sbmlRole="rate"; PYRflow.sbmlRole="rate"; ACAflow.sbmlRole="rate"; EtOHflow.sbmlRole="rate"; AMPflow.sbmlRole="rate"; Pflow.sbmlRole="rate"; reaction_1.sbmlRole="rate"; reaction_2.sbmlRole="rate"; reaction_3.sbmlRole="rate"; reaction_4.sbmlRole="rate"; reaction_5.sbmlRole="rate"; reaction_6.sbmlRole="rate"; reaction_7.sbmlRole="rate"; reaction_8.sbmlRole="rate"; reaction_9.sbmlRole="rate"; reaction_10.sbmlRole="rate"; }