begin name
hald
end name

begin reactions
vACAvap {1.0}ACA0 = {1.0}$X
vADH1 {1.0}EtOH + {1.0}NAD = {1.0}ACA + {1.0}NADH
vAK {1.0}AMP + {1.0}ATP = {2.0}ADP
vALD {1.0}FBP = {1.0}DHAP + {1.0}GAP
vALDH {1.0}ACA + {1.0}NAD = {1.0}NADH + {1.0}OAc
vATPcon {1.0}ATP = {1.0}ADP
vDHAPCN {1.0}DHAP + {1.0}HCN = {1.0}DHAPCN
vGAPDH {1.0}GAP + {1.0}NAD = {1.0}DPG + {1.0}NADH
vGlctr {1.0}Glc0 = {59.0}Glc
vHCNvap {1.0}HCN0 = {1.0}$X
vHK {1.0}ATP + {1.0}Glc = {1.0}ADP + {1.0}G6P
vLACTO {1.0}ACA0 + {1.0}HCN0 = {1.0}lacto
vPDC {1.0}Pyr = {1.0}ACA
vPFK {1.0}ATP + {1.0}F6P = {1.0}ADP + {1.0}FBP
vPGI {1.0}G6P = {1.0}F6P
vPK {1.0}ADP + {1.0}PEP = {1.0}ATP + {1.0}Pyr
vPYRCN {1.0}HCN + {1.0}Pyr = {1.0}PyrCN
vPYRdrain {1.0}Pyr = {1.0}$drain
vStorage {1.0}ATP + {1.0}G6P = {1.0}ADP + {1.0}glycogen
vTIM {1.0}DHAP = {1.0}GAP
vdiACA {59.0}ACA = {1.0}ACA0
vdiEtOH {59.0}EtOH = {1.0}EtOH0
vdiGlyc {59.0}Glyc = {1.0}Glyc0
vdiHCN {59.0}HCN = {1.0}HCN0
vdiOAc {59.0}OAc = {1.0}OAc0
vlpGlyc {1.0}DHAP + {1.0}NADH = {1.0}Glyc + {1.0}NAD
vlpPEP {1.0}ADP + {1.0}DPG = {1.0}ATP + {1.0}PEP
end reactions

begin rate equations
vACAvap = 0.5*kVap*ACA0[t]
vADH1 = (2*sc*V1adh1*V2adh1*(EtOH[t]*NAD[t] - (ACA[t]*NADH[t])/Keq))/(Kadh1EtOH*Kiadh1NAD*V2adh1 + (Kadh1NADH*V1adh1*ACA[t])/Keq + Kadh1NAD*V2adh1*EtOH[t] + Kadh1EtOH*V2adh1*NAD[t] + (Kadh1NADH*V1adh1*ACA[t]*NAD[t])/(Keq*Kiadh1NAD) + V2adh1*EtOH[t]*NAD[t] + (V2adh1*ACA[t]*EtOH[t]*NAD[t])/Kiadh1ACA + (Kadh1ACA*V1adh1*NADH[t])/Keq + (V1adh1*ACA[t]*NADH[t])/Keq + (Kadh1NAD*V2adh1*EtOH[t]*NADH[t])/Kiadh1NADH + (V1adh1*ACA[t]*EtOH[t]*NADH[t])/(Keq*Kiadh1EtOH))
vAK = sc*(-(kakr*ADP[t]^2) + kakf*AMP[t]*ATP[t])
vALD = sc*((Valdf*FBP[t])/(KaldFBP + (KaldGAP*Valdf*DHAP[t])/(Kaldeq*Valdr) + FBP[t] + (KaldDHAP*Valdf*GAP[t])/(Kaldeq*Valdr) + (Valdf*DHAP[t]*GAP[t])/(Kaldeq*Valdr) + (FBP[t]*GAP[t])/KaldIGAP) - (Valdf*DHAP[t]*GAP[t])/(Kaldeq*(KaldFBP + (KaldGAP*Valdf*DHAP[t])/(Kaldeq*Valdr) + FBP[t] + (KaldDHAP*Valdf*GAP[t])/(Kaldeq*Valdr) + (Valdf*DHAP[t]*GAP[t])/(Kaldeq*Valdr) + (FBP[t]*GAP[t])/KaldIGAP)))
vALDH = kOAc*sc*ACA[t]*NAD[t]
vATPcon = (0.832*sc*Vatpconm*ATP[t])/(KatpconATP + ATP[t])
vDHAPCN = -(kdhapb*DHAPCN[t]) + kdhapf*DHAP[t]*HCN[t]
vGAPDH = sc*((Vgapdh*GAP[t]*NAD[t])/(KgapdhGAP*KgapdhNAD*(1 + DPG[t]/KgapdhDPG + GAP[t]/KgapdhGAP)*(1 + NAD[t]/KgapdhNAD + NADH[t]/KgapdhNADH)) - (Vgapdh*DPG[t]*NADH[t])/(Kgapdheq*KgapdhGAP*KgapdhNAD*(1 + DPG[t]/KgapdhDPG + GAP[t]/KgapdhGAP)*(1 + NAD[t]/KgapdhNAD + NADH[t]/KgapdhNADH)))
vGlctr = sc*(-((Vglctr*Glc[t])/(KglctrGlc*Vratio*(1 + G6P[t]/KglctrIG6P + Glc[t]/KglctrGlc + (G6P[t]*Glc[t])/(KglctrGlc*KglctrIIG6P) + ((1 + (Pglctr*Glc[t])/KglctrGlc)*(1 + Glc0[t]/KglctrGlc))/(1 + (Pglctr*Glc0[t])/KglctrGlc)))) + (Vglctr*Glc0[t])/(KglctrGlc*Vratio*(1 + Glc0[t]/KglctrGlc + ((1 + G6P[t]/KglctrIG6P + Glc[t]/KglctrGlc + (G6P[t]*Glc[t])/(KglctrGlc*KglctrIIG6P))*(1 + (Pglctr*Glc0[t])/KglctrGlc))/(1 + (Pglctr*Glc[t])/KglctrGlc))))
vHCNvap = kVap*HCN0[t]
vHK = (sc*Vhkm*ATP[t]*Glc[t])/(KhkATP*KhkDGlc + KhkGlc*ATP[t] + KhkATP*Glc[t] + ATP[t]*Glc[t])
vLACTO = kacaf*ACA0[t]*HCN0[t] - kacab*lacto[t]
vPDC = (0.7*sc*V1PDC*Pyr[t])/((KaPDC*(1 + G6P[t]/KxPDC))/(1 + (bet*G6P[t])/(alp*KxPDC)) + ((1 + G6P[t]/(alp*KxPDC))*Pyr[t])/(1 + (bet*G6P[t])/(alp*KxPDC)))
vPFK = (sc*Vpfkm*ATP[t]*F6P[t]^2)/((KpfkmATP + ATP[t])*(Kpfk*(1 + (kappapfk*ATP[t]^2)/AMP[t]^2) + F6P[t]^2))
vPGI = sc*(-((Vpgi*F6P[t])/(Kpgieq*(KpgiG6P + (KpgiG6P*F6P[t])/KpgiF6P + G6P[t]))) + (Vpgi*G6P[t])/(KpgiG6P + (KpgiG6P*F6P[t])/KpgiF6P + G6P[t]))
vPK = (sc*Vpkm*ADP[t]*PEP[t])/((KpkADP + ADP[t])*(KpkPEP + PEP[t]))
vPYRCN = kpyrf*HCN[t]*Pyr[t] - kpyrb*PyrCN[t]
vPYRdrain = (1.15*sc*VPYRd*Pyr[t])/(KmPYRd + Pyr[t])
vStorage = kg6pst*sc*ATP[t]*G6P[t]
vTIM = sc*((Vtimm*DHAP[t])/(KtimDHAP + DHAP[t] + (KtimDHAP*GAP[t])/KtimGAP) - (Vtimm*GAP[t])/(Ktimeq*(KtimDHAP + DHAP[t] + (KtimDHAP*GAP[t])/KtimGAP)))
vdiACA = sc*((dACA*ACA[t])/Vratio - (dACA*ACA0[t])/Vratio)
vdiEtOH = sc*((dEtOH*EtOH[t])/Vratio - (dEtOH*EtOH0[t])/Vratio)
vdiGlyc = sc*((dGlyc*Glyc[t])/Vratio - (dGlyc*Glyc0[t])/Vratio)
vdiHCN = sc*((dHCN*HCN[t])/Vratio - (dHCN*HCN0[t])/Vratio)
vdiOAc = sc*((dOAc*OAc[t])/Vratio - (dOAc*OAc0[t])/Vratio)
vlpGlyc = (sc*Vlpglycm*DHAP[t])/(KlpglycDHAP*(1 + (KlpglycINADH*(1 + NAD[t]/KlpglycINAD))/NADH[t]) + DHAP[t]*(1 + (KlpglycNADH*(1 + NAD[t]/KlpglycINAD))/NADH[t]))
vlpPEP = sc*(klppepf*ADP[t]*DPG[t] - klppepr*ATP[t]*PEP[t])
end rate equations

begin parameters
Atot = 3.93
Etotadh1 = 0.0045
KG6Pactiv = 3.1
KaPDC = 8.8888889
Kadh1ACA = 1.1
Kadh1EtOH = 17.0
Kadh1NAD = 0.17
Kadh1NADH = 0.11
KaldDHAP = 2.0
KaldFBP = 0.3
KaldGAP = 4.0
KaldIGAP = 10.0
Kaldeq = 0.081
KatpconATP = 10000000000.0
Keq = "5.0476587558e-05"
KgapdhDPG = 0.01
KgapdhGAP = 0.6
KgapdhNAD = 0.1
KgapdhNADH = 0.06
Kgapdheq = 0.0055
KglctrGlc = 1.7
KglctrIG6P = 1.2
KglctrIIG6P = 7.2
KhkATP = 0.1
KhkDGlc = 0.37
KhkGlc = 0.0
Kiadh1ACA = 1.1
Kiadh1EtOH = 90.0
Kiadh1NAD = 0.92
Kiadh1NADH = 0.031
KlpglycDHAP = 25.0
KlpglycINAD = 0.13
KlpglycINADH = 0.034
KlpglycNADH = 0.13
KmPYRd = 0.5
Kpdc = 0.8
Kpfk = 0.021
KpfkmATP = 0.0
KpgiF6P = 0.15
KpgiG6P = 0.8
Kpgieq = 0.13
KpkADP = 0.17
KpkDPEP = 0.2
KpkPEP = 0.2
KtimDHAP = 1.23
KtimGAP = 1.27
Ktimeq = 0.055
KxPDC = 9.0
Ntot = 0.98
Pglctr = 1.0
V1PDC = 0.9558
V1adh1 = 110.16
V2adh1 = 550.8
VPYRd = 1.96
Valdf = 2207.82
Valdr = 11039.1
Vatpconm = 128000000000.0
Vgapdh = 833.858
Vglctr = 142.0944
Vhkm = 41.40376
Vlpglycm = 81.4797
Vpdcm = 95.58
Vpfkm = 38.163468
Vpgi = 496.042
Vpkm = 343.096
Vratio = 59.0
Vtimm = 116.365
alp = 0.09
bet = 100.0
dACA = 24.7
dEtOH = 16.72
dGlyc = 1.9
dHCN = 34.2
dOAc = 16.72
kOAc = 0.5
kVap = 0.00287219
kacab = "2.03e-06"
kacaf = 0.036
kakf = 432.9
kakr = 133.333
kappapfk = 0.15
kdhapb = 0.012
kdhapf = 0.037
kg6pst = 2.598218
klppepf = 443866.0
klppepr = 1528.62
kpyrb = 0.0037
kpyrf = 0.034
sc = 2.0
X = 0.0
drain = 0.0
default = 1.0
end parameters

begin initial conditions
ACA[0] = ACAi
ACA0[0] = ACA0i
ADP[0] = ADPi
AMP[0] = AMPi
ATP[0] = ATPi
DHAP[0] = DHAPi
DHAPCN[0] = DHAPCNi
DPG[0] = DPGi
EtOH[0] = EtOHi
EtOH0[0] = EtOH0i
F6P[0] = F6Pi
FBP[0] = FBPi
G6P[0] = G6Pi
GAP[0] = GAPi
Glc[0] = Glci
Glc0[0] = Glc0i
Glyc[0] = Glyci
Glyc0[0] = Glyc0i
HCN[0] = HCNi
HCN0[0] = HCN0i
NAD[0] = NADi
NADH[0] = NADHi
OAc[0] = OAci
OAc0[0] = OAc0i
PEP[0] = PEPi
Pyr[0] = Pyri
PyrCN[0] = PyrCNi
glycogen[0] = glycogeni
lacto[0] = lactoi
end initial conditions

begin initial values
ACAi = 0.0
ACA0i = 0.0
ADPi = 1.5
AMPi = 0.33
ATPi = 2.1
DHAPi = 0.0
DHAPCNi = 0.0
DPGi = 0.0
EtOHi = 0.0
EtOH0i = 0.0
F6Pi = 0.0
FBPi = 0.0
G6Pi = 0.0
GAPi = 0.0
Glci = 0.0
Glc0i = 24.0
Glyci = 0.0
Glyc0i = 0.0
HCNi = 0.0
HCN0i = 5.0
NADi = 0.75
NADHi = 0.23
OAci = 0.0
OAc0i = 0.0
PEPi = 0.0
Pyri = 0.0
PyrCNi = 0.0
glycogeni = 0.0
lactoi = 0.0
end initial values

begin assignment rules
end assignment rules

begin function definitions
end function definitions

begin events
end events

begin process annotations
end process annotations

begin species annotations
end species annotations

begin units
end units