begin name
dupreez2
end name

begin reactions
vADH {1.0}ACE + {1.0}NADH = {1.0}$EXTERNAL
vAK {1.0}$EXTERNAL = {1.0}AMP + {1.0}ATP
vALD {1.0}F16P = {2.0}TRIO
vATP {1.0}ATP = {1.0}$EXTERNAL
vENO {1.0}P2G = {1.0}PEP
vG3PA {1.0}G3P = {1.0}$EXTERNAL
vG3PDH {1.0}NADH + {1.0}TRIO = {1.0}G3P
vGAPDH {1.0}TRIO = {1.0}BPG + {1.0}NADH
vGLK {1.0}ATP + {1.0}GLCi = {1.0}G6P
vGLT {1.0}$EXTERNAL = {1.0}GLCi
vGLYCO {1.0}ATP + {1.0}G6P = {1.0}$EXTERNAL
vPDC {1.0}PYR = {1.0}ACE
vPFK {1.0}ATP + {1.0}F6P = {1.0}F16P
vPGI {1.0}G6P = {1.0}F6P
vPGK {1.0}BPG = {1.0}ATP + {1.0}P3G
vPGM {1.0}P3G = {1.0}P2G
vPYK {1.0}PEP = {1.0}ATP + {1.0}PYR
vSUC {2.0}ACE + {4.0}ATP = {3.0}NADH
vTreha {1.0}ATP + {2.0}G6P = {1.0}$EXTERNAL
end reactions

begin rate equations
vADH = -((VmADH*(ETOH*NAD - (ACE[t]*NADH[t])/KeqADH))/(KiADHNAD*KmADHETOH*(1 + (ETOH*KmADHNAD)/(KiADHNAD*KmADHETOH) + NAD/KiADHNAD + (ETOH*NAD)/(KiADHNAD*KmADHETOH) + (KmADHNADH*ACE[t])/(KiADHNADH*KmADHACE) + (ETOH*NAD*ACE[t])/(KiADHACE*KiADHNAD*KmADHETOH) + (KmADHNADH*NAD*ACE[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))))
vAK = 133.333*(ADP^2 - (AMP[t]*ATP[t])/KeqAK)
vALD = (VmALD*(F16P[t] - (KeqTPI*TRIO[t]^2)/(KeqALD*(1 + KeqTPI)^2)))/(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)))
vATP = (KATPASE*ATP[t]^nATP)/(KmATP^nATP + ATP[t]^nATP)
vENO = (VmENO*(P2G[t] - PEP[t]/KeqENO))/(KmENOP2G*(1 + P2G[t]/KmENOP2G + PEP[t]/KmENOPEP))
vG3PA = (VmG3PA*G3P[t])/(KmG3PAG3P*(1 + Phi/KmG3PAPhi)*(1 + G3P[t]/KmG3PAG3P))
vG3PDH = (VmG3PDH*(-((NAD*G3P[t])/KeqG3PDH) + (NADH[t]*TRIO[t])/(1 + KeqTPI)))/(KmG3PDHDHAP*KmG3PDHNADH*(1 + ADP/KmG3PDHADP + ATP[t]/KmG3PDHATP + F16P[t]/KmG3PDHF16P)*(1 + NAD/KmG3PDHNAD + NADH[t]/KmG3PDHNADH)*(1 + G3P[t]/KmG3PDHG3P + TRIO[t]/((1 + KeqTPI)*KmG3PDHDHAP)))
vGAPDH = (-((VmGAPDHf*BPG[t]*NADH[t])/(KeqGAPDH*KmGAPDHGAP*KmGAPDHNAD)) + (KeqTPI*NAD*VmGAPDHf*TRIO[t])/((1 + KeqTPI)*KmGAPDHGAP*KmGAPDHNAD))/((1 + NAD/KmGAPDHNAD + NADH[t]/KmGAPDHNADH)*(1 + BPG[t]/KmGAPDHBPG + (KeqTPI*TRIO[t])/((1 + KeqTPI)*KmGAPDHGAP)))
vGLK = (VmGLK*(-((ADP*G6P[t])/KeqGLK) + ATP[t]*GLCi[t]))/(KmGLKATP*KmGLKGLCi*(1 + ADP/KmGLKADP + ATP[t]/KmGLKATP)*(1 + G6P[t]/KmGLKG6P + GLCi[t]/KmGLKGLCi))
vGLT = (VmGLT*(GLCo - GLCi[t]/KeqGLT))/(KmGLTGLCo*(1 + GLCo/KmGLTGLCo + GLCi[t]/KmGLTGLCi + (alpha*GLCo*GLCi[t])/(KmGLTGLCi*KmGLTGLCo)))
vGLYCO = KGLYCOGEN*ATP[t]*G6P[t]
vPDC = (VmPDC*PYR[t]^nPDC)/(KmPDCPYR^nPDC*(1 + PYR[t]^nPDC/KmPDCPYR^nPDC))
vPFK = (gR*VmPFK*ATP[t]*F6P[t]*(1 + ATP[t]/KmPFKATP + F6P[t]/KmPFKF6P + (gR*ATP[t]*F6P[t])/(KmPFKATP*KmPFKF6P)))/(KmPFKATP*KmPFKF6P*((L0*(1 + (CPFKAMP*AMP[t])/KPFKAMP)^2*(1 + (CiPFKATP*ATP[t])/KiPFKATP)^2*(1 + (CPFKATP*ATP[t])/KmPFKATP)^2*(1 + (CPFKF26BP*F26BP)/KPFKF26BP + (CPFKF16BP*F16P[t])/KPFKF16BP)^2)/((1 + AMP[t]/KPFKAMP)^2*(1 + ATP[t]/KiPFKATP)^2*(1 + F26BP/KPFKF26BP + F16P[t]/KPFKF16BP)^2) + (1 + ATP[t]/KmPFKATP + F6P[t]/KmPFKF6P + (gR*ATP[t]*F6P[t])/(KmPFKATP*KmPFKF6P))^2))
vPGI = (VmPGI*(-(F6P[t]/KeqPGI) + G6P[t]))/(KmPGIG6P*(1 + F6P[t]/KmPGIF6P + G6P[t]/KmPGIG6P))
vPGK = (VmPGK*(ADP*KeqPGK*BPG[t] - ATP[t]*P3G[t]))/(KmPGKATP*KmPGKP3G*(1 + ADP/KmPGKADP + ATP[t]/KmPGKATP)*(1 + BPG[t]/KmPGKBPG + P3G[t]/KmPGKP3G))
vPGM = (VmPGM*(-(P2G[t]/KeqPGM) + P3G[t]))/(KmPGMP3G*(1 + P2G[t]/KmPGMP2G + P3G[t]/KmPGMP3G))
vPYK = (VmPYK*(ADP*PEP[t] - (ATP[t]*PYR[t])/KeqPYK))/(KmPYKADP*KmPYKPEP*(1 + ADP/KmPYKADP + ATP[t]/KmPYKATP)*(1 + PEP[t]/KmPYKPEP + PYR[t]/KmPYKPYR))
vSUC = KSUCC*ACE[t]
vTreha = KTREHALOSE*ATP[t]*G6P[t]
end rate equations

begin parameters
AXPsum = 4.1
CPFKAMP = 0.0845
CPFKATP = 3.0
CPFKF16BP = 0.397
CPFKF26BP = 0.0174
CiPFKATP = 100.0
ETOH = 50.0
EXTERNAL = 0.0
F26BP = 0.02
GLCo = 10.0
KATPASE = 68.809631749526
KGLYCOGEN = 1.68983106019077
KPFKAMP = 0.0995
KPFKF16BP = 0.111
KPFKF26BP = 0.000682
KSUCC = 19.6023811745556
KTREHALOSE = 0.754128480342013
KeqADH = "6.9e-05"
KeqAK = 0.45
KeqALD = 0.069
KeqENO = 6.7
KeqG3PDH = 4300.0
KeqGAPDH = 0.00562639062770364
KeqGLK = 3800.0
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
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
KmATP = 0.263159506089159
KmENOP2G = 0.04
KmENOPEP = 0.5
KmG3PAG3P = 4.21421727097407
KmG3PAPhi = 0.798017147070638
KmG3PDHADP = 1.60537927993171
KmG3PDHATP = 0.568725492710765
KmG3PDHDHAP = 0.4
KmG3PDHF16P = 4.77110176421347
KmG3PDHG3P = 1.088994646912
KmG3PDHNAD = 0.93
KmG3PDHNADH = 0.023
KmGAPDHBPG = 0.0098
KmGAPDHGAP = 0.21
KmGAPDHNAD = 0.09
KmGAPDHNADH = 0.06
KmGLKADP = 0.23
KmGLKATP = 0.15
KmGLKG6P = 30.0
KmGLKGLCi = 0.08
KmGLTGLCi = 1.1918
KmGLTGLCo = 1.1918
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 = 0.53
KmPYKATP = 1.5
KmPYKPEP = 0.14
KmPYKPYR = 21.0
L0 = 0.66
NADSUM = 1.0
Phi = 1.20470265921072
VmADH = 834.684820558968
VmALD = 232.895576807474
VmENO = 462.02518044535
VmG3PA = 542.31923582697
VmG3PDH = 477.924460922096
VmGAPDHf = 419.560093466267
VmGLK = 329.958304618391
VmGLT = 136.494419254188
VmPDC = 223.978775020613
VmPFK = 183.616866462272
VmPGI = 467.754325004144
VmPGK = 1419.49486841362
VmPGM = 2762.32037661175
VmPYK = 1751.9596196023
alpha = 0.91
gR = 5.12
nATP = 1.0
nPDC = 1.9
defaultcompartment = 1.0
end parameters

begin initial conditions
ACE[0] = ACEi
AMP[0] = AMPi
ATP[0] = ATPi
BPG[0] = BPGi
F16P[0] = F16Pi
F6P[0] = F6Pi
G3P[0] = G3Pi
G6P[0] = G6Pi
GLCi[0] = GLCii
NADH[0] = NADHi
P2G[0] = P2Gi
P3G[0] = P3Gi
PEP[0] = PEPi
PYR[0] = PYRi
TRIO[0] = TRIOi
end initial conditions

begin initial values
ACEi = 0.0320190578411128
AMPi = 0.169126793522056
ATPi = 2.88896546881255
BPGi = 0.000272378466415018
F16Pi = 5.12303060629701
F6Pi = 1.35316959717949
G3Pi = 1.51464838664408
G6Pi = 5.23300353550081
GLCii = 0.0264527982731908
NADHi = 0.570243405517748
P2Gi = 0.0219411145027765
P3Gi = 0.182294273856502
PEPi = 0.0180777173496713
PYRi = 2.26719823411809
TRIOi = 2.65068578040418
end initial values

begin assignment rules
NAD := NADSUM - NADH[t]
ADP := AXPsum - AMP[t] - ATP[t]
end assignment rules

begin function definitions
end function definitions

begin events
end events

begin process annotations
v_ADH http://identifiers.org/kegg.reaction/R00754
v_ALD http://identifiers.org/kegg.reaction/R01068
v_ATP http://identifiers.org/obo.go/0006200
v_ENO http://identifiers.org/kegg.reaction/R00658
v_GAPDH http://identifiers.org/kegg.reaction/R01061
v_GLK http://identifiers.org/kegg.reaction/R00299
v_GLT http://identifiers.org/obo.go/0015758
v_PDC http://identifiers.org/kegg.reaction/R00224
v_PFK http://identifiers.org/kegg.reaction/R04779
v_PGI http://identifiers.org/kegg.reaction/R02740
v_PGK http://identifiers.org/kegg.reaction/R01512
v_PGM http://identifiers.org/kegg.reaction/R01518
end process annotations

begin species annotations
ACE http://identifiers.org/obo.chebi/CHEBI15343
ACE http://identifiers.org/kegg.compound/C00084
AMP http://identifiers.org/obo.chebi/CHEBI16027
AMP http://identifiers.org/kegg.compound/C00020
ATP http://identifiers.org/obo.chebi/CHEBI15422
ATP http://identifiers.org/kegg.compound/C00002
BPG http://identifiers.org/obo.chebi/28907
BPG http://identifiers.org/kegg.compound/C00236
F16P http://identifiers.org/obo.chebi/16905
F16P http://identifiers.org/kegg.compound/C00354
F6P http://identifiers.org/kegg.compound/C00085
F6P http://identifiers.org/obo.chebi/15946
G3P http://identifiers.org/kegg.compound/C00093
G3P http://identifiers.org/obo.chebi/CHEBI15978
G6P http://identifiers.org/kegg.compound/C00092
G6P http://identifiers.org/obo.chebi/17665
GLCi http://identifiers.org/kegg.compound/C00293
GLCi http://identifiers.org/obo.chebi/CHEBI17234
NADH http://identifiers.org/obo.chebi/16908
NADH http://identifiers.org/kegg.compound/C00004
P2G http://identifiers.org/kegg.compound/C00631
P2G http://identifiers.org/obo.chebi/17835
P3G http://identifiers.org/kegg.compound/C00197
P3G http://identifiers.org/obo.chebi/17794
PEP http://identifiers.org/obo.chebi/18021
PEP http://identifiers.org/kegg.compound/C00074
PYR http://identifiers.org/obo.chebi/15361
PYR http://identifiers.org/kegg.compound/C00022
TRIO http://identifiers.org/obo.chebi/CHEBI15978
TRIO http://identifiers.org/obo.chebi/CHEBI17138
TRIO http://identifiers.org/kegg.compound/C00093
TRIO http://identifiers.org/kegg.compound/C00661
end species annotations

begin units
end units