begin name
vanHeerden1
end name

begin reactions
v1 {1.0}GLCi + {1.0}Prb = {1.0}G6P
v10 {1.0}P2G = {1.0}PEP
v11 {1.0}PEP = {1.0}Prb + {1.0}PYR
v12 {1.0}PYR = {1.0}ACE + {1.0}$CO2
v13 {2.0}ACE + {3.0}$NAD = {1.0}$SUCC + {3.0}NADH
v14 {1.0}$GLCo = {1.0}GLCi
v15 {1.0}ACE + {1.0}NADH = {1.0}$ETOH + {1.0}$NAD
v16 {1.0}NADH + {1.0}TRIO = {1.0}PHOS + {1.0}$GLY + {1.0}$NAD
v17 {1.0}Prb = {1.0}PHOS
v18 {1.0}$X = {1.0}PHOS
v2 {1.0}G6P = {1.0}F6P
v3 {1.0}G6P + {1.0}Prb = {1.0}$Glyc + {2.0}PHOS
v4 {1.0}Prb + {2.0}G6P = {1.0}$Trh + {3.0}PHOS
v5 {1.0}F6P + {1.0}Prb = {1.0}F16P
v6 {1.0}F16P = {2.0}TRIO
v7 {1.0}PHOS + {1.0}TRIO + {1.0}$NAD = {1.0}BPG + {1.0}NADH
v8 {1.0}BPG = {1.0}P3G + {1.0}Prb
v9 {1.0}P3G = {1.0}P2G
end reactions

begin rate equations
v1 = (VMAXHK*((GLCi[t]*(-SUMAXP + (1 - 4*KEQAK)*Prb[t] + (4*(1 - 4*KEQAK)*KEQAK*Prb[t]^2 + (SUMAXP - (1 - 4*KEQAK)*Prb[t])^2)^0.5))/(2*(1 - 4*KEQAK)*KMHKATP*KMHKGLCi) - (G6P[t]*(Prb[t] - (-SUMAXP + (1 - 4*KEQAK)*Prb[t] + (4*(1 - 4*KEQAK)*KEQAK*Prb[t]^2 + (SUMAXP - (1 - 4*KEQAK)*Prb[t])^2)^0.5)/(1 - 4*KEQAK)))/(KEQHK*KMHKATP*KMHKGLCi)))/(compartment*(1 + G6P[t]/KMHKG6P + (wt*G6P[t])/KiHKG6P + GLCi[t]/KMHKGLCi)*(1 + (-SUMAXP + (1 - 4*KEQAK)*Prb[t] + (4*(1 - 4*KEQAK)*KEQAK*Prb[t]^2 + (SUMAXP - (1 - 4*KEQAK)*Prb[t])^2)^0.5)/(2*(1 - 4*KEQAK)*KMHKATP) + (Prb[t] - (-SUMAXP + (1 - 4*KEQAK)*Prb[t] + (4*(1 - 4*KEQAK)*KEQAK*Prb[t]^2 + (SUMAXP - (1 - 4*KEQAK)*Prb[t])^2)^0.5)/(1 - 4*KEQAK))/KMHKADP))
v10 = (VmENO*(P2G[t] - PEP[t]/KeqENO))/(compartment*KmENOP2G*(1 + P2G[t]/KmENOP2G + PEP[t]/KmENOPEP))
v11 = (VmPYK*PEP[t]*(1 + PEP[t]/KmPYKPEP)^(-1 + npyk)*(Prb[t] - (-SUMAXP + (1 - 4*KeqAK)*Prb[t] + (4*(1 - 4*KeqAK)*KeqAK*Prb[t]^2 + (SUMAXP - (1 - 4*KeqAK)*Prb[t])^2)^0.5)/(1 - 4*KeqAK)))/(compartment*KmPYKPEP*(KmPYKADP + Prb[t] - (-SUMAXP + (1 - 4*KeqAK)*Prb[t] + (4*(1 - 4*KeqAK)*KeqAK*Prb[t]^2 + (SUMAXP - (1 - 4*KeqAK)*Prb[t])^2)^0.5)/(1 - 4*KeqAK))*((1 + PEP[t]/KmPYKPEP)^npyk + L0PYK*((1 + (-SUMAXP + (1 - 4*KeqAK)*Prb[t] + (4*(1 - 4*KeqAK)*KeqAK*Prb[t]^2 + (SUMAXP - (1 - 4*KeqAK)*Prb[t])^2)^0.5)/(2*(1 - 4*KeqAK)*KmPYKATP))/(1 + F16P[t]/KmPYKF16P))^npyk))
v12 = (VmPDC*PYR[t]^nPDC)/(compartment*KmPDCPYR^nPDC*(1 + PYR[t]^nPDC/KmPDCPYR^nPDC))
v13 = (KSUCC*ACE[t])/compartment
v14 = (VmGLT*(GLCo - GLCi[t]/KeqGLT))/(compartment*KmGLTGLCo*(1 + GLCo/KmGLTGLCo + GLCi[t]/KmGLTGLCi + (0.91*GLCo*GLCi[t])/(KmGLTGLCi*KmGLTGLCo)))
v15 = -((VmADH*(ETOH*(NADt - NADH[t]) - (ACE[t]*NADH[t])/KeqADH))/(compartment*KiADHNAD*KmADHETOH*(1 + (ETOH*KmADHNAD)/(KiADHNAD*KmADHETOH) + (KmADHNADH*ACE[t])/(KiADHNADH*KmADHACE) + (NADt - NADH[t])/KiADHNAD + (ETOH*(NADt - NADH[t]))/(KiADHNAD*KmADHETOH) + (ETOH*ACE[t]*(NADt - NADH[t]))/(KiADHACE*KiADHNAD*KmADHETOH) + (KmADHNADH*ACE[t]*(NADt - NADH[t]))/(KiADHNAD*KiADHNADH*KmADHACE) + NADH[t]/KiADHNADH + (ETOH*KmADHNAD*NADH[t])/(KiADHNAD*KiADHNADH*KmADHETOH) + (ACE[t]*NADH[t])/(KiADHNADH*KmADHACE) + (ETOH*ACE[t]*NADH[t])/(KiADHETOH*KiADHNADH*KmADHACE))))
v16 = (VmG3PDH*(-((GLY*(NADt - NADH[t]))/KeqG3PDH) + (NADH[t]*TRIO[t])/(1 + KeqTPI)))/(compartment*KmG3PDHDHAP*KmG3PDHNADH*(1 + (NADt - NADH[t])/KmG3PDHNAD + NADH[t]/KmG3PDHNADH)*(1 + GLY/KmG3PDHGLY + TRIO[t]/((1 + KeqTPI)*KmG3PDHDHAP)))
v17 = (KATPASE*(-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5))/(compartment*(2 - 8*KeqAK))
v18 = (KPHOS*(pT - PHOS[t]))/compartment
v2 = (VmPGI*(-(F6P[t]/KeqPGI) + G6P[t]))/(compartment*KmPGIG6P*(1 + F6P[t]/KmPGIF6P + G6P[t]/KmPGIG6P))
v3 = (KmGLYCOGEN*G6P[t])/compartment
v4 = (KTREHALOSE*wt*G6P[t])/compartment
v5 = (gR*VmPFK*F6P[t]*(-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5)*(1 + F6P[t]/KmPFKF6P + (-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5)/((2 - 8*KeqAK)*KmPFKATP) + (gR*F6P[t]*(-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5))/((2 - 8*KeqAK)*KmPFKATP*KmPFKF6P)))/(compartment*(2 - 8*KeqAK)*KmPFKATP*KmPFKF6P*((L0*(1 + (CPFKF26BP*F26BP)/KPFKF26BP + (CPFKF16BP*F16P[t])/KPFKF16BP)^2*(1 + (2*CPFKAMP*KeqAK*(SUMAXP - (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5)^2)/((-1 + 4*KeqAK)*KPFKAMP*(SUMAXP - Prb[t] + 4*KeqAK*Prb[t] - (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5)))^2*(1 + (CiPFKATP*(-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5))/((2 - 8*KeqAK)*KiPFKATP))^2*(1 + (CPFKATP*(-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5))/((2 - 8*KeqAK)*KmPFKATP))^2)/((1 + F26BP/KPFKF26BP + F16P[t]/KPFKF16BP)^2*(1 + (2*KeqAK*(SUMAXP - (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5)^2)/((-1 + 4*KeqAK)*KPFKAMP*(SUMAXP - Prb[t] + 4*KeqAK*Prb[t] - (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5)))^2*(1 + (-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5)/((2 - 8*KeqAK)*KiPFKATP))^2) + (1 + F6P[t]/KmPFKF6P + (-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5)/((2 - 8*KeqAK)*KmPFKATP) + (gR*F6P[t]*(-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5))/((2 - 8*KeqAK)*KmPFKATP*KmPFKF6P))^2))
v6 = (VmALD*(F16P[t] - (KeqTPI*TRIO[t]^2)/(KeqALD*(1 + KeqTPI)^2)))/(compartment*KmALDF16P*(1 + F16P[t]/KmALDF16P + TRIO[t]/((1 + KeqTPI)*KmALDDHAP) + (KeqTPI*TRIO[t])/((1 + KeqTPI)*KmALDGAP) + (KeqTPI*F16P[t]*TRIO[t])/((1 + KeqTPI)*KmALDF16P*KmALDGAPi) + (KeqTPI*TRIO[t]^2)/((1 + KeqTPI)^2*KmALDDHAP*KmALDGAP)))
v7 = (-((VmGAPDHr*BPG[t]*NADH[t])/(KmGAPDHBPG*KmGAPDHNADH)) + (KeqTPI*VmGAPDHf*(NADt - NADH[t])*PHOS[t]*TRIO[t])/((1 + KeqTPI)*KmGAPDHGAP*KmGAPDHNAD))/(compartment*(1 + (NADt - NADH[t])/KmGAPDHNAD + NADH[t]/KmGAPDHNADH)*(1 + PHOS[t])*(1 + BPG[t]/KmGAPDHBPG + (KeqTPI*TRIO[t])/((1 + KeqTPI)*KmGAPDHGAP)))
v8 = (VmPGK*((KeqPGK*BPG[t]*(SUMAXP - (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5))/(1 - 4*KeqAK) - (P3G[t]*(-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5))/(2 - 8*KeqAK)))/(compartment*KmPGKATP*KmPGKP3G*(1 + BPG[t]/KmPGKBPG + P3G[t]/KmPGKP3G)*(1 + (SUMAXP - (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5)/((1 - 4*KeqAK)*KmPGKADP) + (-SUMAXP + Prb[t] - 4*KeqAK*Prb[t] + (SUMAXP^2 - 2*SUMAXP*Prb[t] + 8*KeqAK*SUMAXP*Prb[t] + Prb[t]^2 - 4*KeqAK*Prb[t]^2)^0.5)/((2 - 8*KeqAK)*KmPGKATP)))
v9 = (VmPGM*(-(P2G[t]/KeqPGM) + P3G[t]))/(compartment*KmPGMP3G*(1 + P2G[t]/KmPGMP2G + P3G[t]/KmPGMP3G))
end rate equations

begin parameters
CPFKAMP = 0.0845
CPFKATP = 3.0
CPFKF16BP = 0.397
CPFKF26BP = 0.0174
CPFKF6P = 0.0
CiPFKATP = 100.0
F26BP = 0.02
KATPASE = 39.5
KEQAK = 0.45
KEQHK = 3800.0
KMHKADP = 0.23
KMHKATP = 0.15
KMHKG6P = 30.0
KMHKGLCi = 0.08
KPFKAMP = 0.0995
KPFKF16BP = 0.111
KPFKF26BP = 0.000682
KPHOS = 0.1
KSUCC = 21.4
KTREHALOSE = 2.32
KeqADH = "6.9e-05"
KeqAK = 0.45
KeqALD = 0.069
KeqENO = 6.7
KeqG3PDH = 4300.0
KeqGLT = 1.0
KeqPGI = 0.314
KeqPGK = 3200.0
KeqPGM = 0.19
KeqPYK = 6500.0
KeqTPI = 0.045
KiADHACE = 1.1
KiADHETOH = 90.0
KiADHNAD = 0.92
KiADHNADH = 0.031
KiHKG6P = 0.07
KiPFKATP = 0.65
KmADHACE = 1.11
KmADHETOH = 17.0
KmADHNAD = 0.17
KmADHNADH = 0.11
KmALDDHAP = 2.4
KmALDF16P = 0.3
KmALDGAP = 2.0
KmALDGAPi = 10.0
KmENOP2G = 0.04
KmENOPEP = 0.5
KmG3PDHDHAP = 0.4
KmG3PDHGLY = 1.0
KmG3PDHNAD = 0.93
KmG3PDHNADH = 0.023
KmGAPDHBPG = 0.0098
KmGAPDHGAP = 0.21
KmGAPDHNAD = 0.09
KmGAPDHNADH = 0.06
KmGLTGLCi = 1.1918
KmGLTGLCo = 1.1918
KmGLYCOGEN = 5.8
KmPDCPYR = 4.33
KmPFKATP = 0.71
KmPFKF6P = 0.1
KmPGIF6P = 0.3
KmPGIG6P = 1.4
KmPGKADP = 0.2
KmPGKATP = 0.3
KmPGKBPG = 0.003
KmPGKP3G = 0.53
KmPGMP2G = 0.08
KmPGMP3G = 1.2
KmPYKADP = 0.3
KmPYKATP = 9.3
KmPYKF16P = 0.2
KmPYKPEP = 0.19
L0 = 0.66
L0PYK = 60000.0
NADt = 1.59
SUMAXP = 3.1
VMAXHK = 226.452
VmADH = 810.0
VmALD = 322.258
VmENO = 365.806
VmG3PDH = 70.15
VmGAPDHf = 1184.52
VmGAPDHr = 6549.68
VmGLT = 198.0
VmPDC = 1062.58
VmPFK = 182.903
VmPGI = 339.677
VmPGK = 1306.45
VmPGM = 2525.81
VmPYK = 1088.71
gR = 5.12
nPDC = 1.9
npyk = 4.0
pT = 10.0
wt = 1.0
CO2 = 1.0
ETOH = 0.0
GLCo = 110.0
GLY = 0.15
Glyc = 0.0
NAD = 0.0
SUCC = 0.0
Trh = 0.0
X = 0.0
compartment = 1.0
end parameters

begin initial conditions
ACE[0] = ACEi
BPG[0] = BPGi
F16P[0] = F16Pi
F6P[0] = F6Pi
G6P[0] = G6Pi
GLCi[0] = GLCii
NADH[0] = NADHi
P2G[0] = P2Gi
P3G[0] = P3Gi
PEP[0] = PEPi
PHOS[0] = PHOSi
PYR[0] = PYRi
Prb[0] = Prbi
TRIO[0] = TRIOi
end initial conditions

begin initial values
ACEi = 0.0474837
BPGi = 0.111
F16Pi = 0.836
F6Pi = 0.75247
G6Pi = 3.085
GLCii = 0.087
NADHi = 0.044
P2Gi = 0.13771
P3Gi = 0.825
PEPi = 0.1404
PHOSi = 10.0
PYRi = 0.884031
Prbi = 5.0
TRIOi = 0.5177
end initial values

begin assignment rules
ATP := (-SUMAXP + (1 - 4*KEQAK)*Prb[t] + (4*(1 - 4*KEQAK)*KEQAK*Prb[t]^2 + (SUMAXP - (1 - 4*KEQAK)*Prb[t])^2)^0.5)/(2*(1 - 4*KEQAK))
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