begin name
dupreez4
end name

begin reactions
vACEt {1.0}ACE = {0.02}ACEo
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
vLACTO {1.0}ACEo = {1.0}$EXTERNAL
vPDC {1.0}PYR = {1.0}ACE
vPFK {1.0}ATP + {1.0}F6P = {1.0}F16P
vPGI {1.0}G6P = {1.0}F6P
vPGK {1.0}BPG = {1.0}ATP + {1.0}P3G
vPGM {1.0}P3G = {1.0}P2G
vPYK {1.0}PEP = {1.0}ATP + {1.0}PYR
vSUC {2.0}ACE + {4.0}ATP = {3.0}NADH
vTreha {2.0}G6P + {1.0}ATP = {1.0}$EXTERNAL
end reactions

begin rate equations
vACEt = kACEt*optACEt*(ACE[t] - ACEo[t])
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*AKopt*(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]
vLACTO = CN*kLACTO*optLACTO*ACEo[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
AKopt = 0.538823362397066
AXPsum = 4.1
CN = 5.0
CPFKAMP = 0.0619066304454687
CPFKATP = 4.11927102035743
CPFKF16BP = 0.508729452985175
CPFKF26BP = 0.0166446192764381
CiPFKATP = 133.997614964125
ETOH = 50.0
EXTERNAL = 0.0
F26BP = 0.02
GLCo = 20.0
KATPASE = 38.3151546531701
KGLYCOGEN = 0.657952839162031
KPFKAMP = 0.0908240053852103
KPFKF16BP = 0.0867303342326532
KPFKF26BP = 0.000809438316573068
KSUCC = 15.5243973118548
KTREHALOSE = 0.35532683402403
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 = 1.10269434597499
KiADHETOH = 87.5197712783722
KiADHNAD = 0.994086925030065
KiADHNADH = 0.0266112112630811
KiPFKATP = 0.672261990665842
KmADHACE = 1.08640493765421
KmADHETOH = 17.873472130943
KmADHNAD = 0.173151837494663
KmADHNADH = 0.106028057123405
KmALDDHAP = 2.35279569817395
KmALDF16P = 0.289978616714069
KmALDGAP = 2.03507983684522
KmALDGAPi = 10.1050124140839
KmATP = 0.226775365195371
KmENOP2G = 0.0384298786845413
KmENOPEP = 0.48718115014322
KmG3PAG3P = 4.36779649390928
KmG3PAPhi = 0.784145076398265
KmG3PDHADP = 1.66742704847041
KmG3PDHATP = 0.477041600990239
KmG3PDHDHAP = 0.434945788250048
KmG3PDHF16P = 5.39383791442381
KmG3PDHG3P = 0.989904702292856
KmG3PDHNAD = 0.864230959749687
KmG3PDHNADH = 0.024866434215201
KmGAPDHBPG = 0.0105501300482522
KmGAPDHGAP = 0.126014064354562
KmGAPDHNAD = 0.0877156866078506
KmGAPDHNADH = 0.0560916256777303
KmGLKADP = 0.263092658044569
KmGLKATP = 0.122952862202984
KmGLKG6P = 29.9047243861895
KmGLKGLCi = 0.070544843764403
KmGLTGLCi = 1.2601958510505
KmGLTGLCo = 1.14781100891666
KmPDCPYR = 2.71686030412305
KmPFKATP = 0.639382516791221
KmPFKF6P = 0.136442544726107
KmPGIF6P = 0.288898425005336
KmPGIG6P = 1.31111953478591
KmPGKADP = 0.195235190263297
KmPGKATP = 0.307178610015771
KmPGKBPG = 0.0030168048178011
KmPGKP3G = 0.515383408435942
KmPGMP2G = 0.0816972711677167
KmPGMP3G = 1.1653123960473
KmPYKADP = 0.423287756657824
KmPYKATP = 1.67932644936778
KmPYKPEP = 0.114687461199323
KmPYKPYR = 21.2875778903632
L0 = 0.744428179041052
NADSUM = 1.0
Phi = 1.20470265921072
VmADH = 329.310550256221
VmALD = 115.755229155784
VmENO = 276.012216851944
VmG3PA = 28.7585800442532
VmG3PDH = 19.8677206272709
VmGAPDHf = 279.717235797774
VmGLK = 229.681980633949
VmGLT = 43.9573369352783
VmPDC = 209.10016696
VmPFK = 127.540676183333
VmPGI = 274.363965785613
VmPGK = 797.96096752776
VmPGM = 1591.55726747429
VmPYK = 1223.18615050541
alpha = 0.91
gR = 3.47651271426468
kACEt = 1431.0
kLACTO = 0.09
nATP = 1.0
nPDC = 2.3801892387344
optACEt = 0.566678504048252
optLACTO = 0.566678504048252
yvol = 50.0
defaultcompartment = 1.0
end parameters

begin initial conditions
ACE[0] = ACEi
ACEo[0] = ACEoi
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 = 0.0204796335883082
ACEoi = 0.0199832348425703
AMPi = 0.815615549032524
ATPi = 1.60200361393713
BPGi = 8.04607071179563e-05
F16Pi = 7.88018175756601
F6Pi = 0.494145977137238
G3Pi = 0.898510944946246
G6Pi = 2.26358698183118
GLCii = 0.030050982468921
NADHi = 0.390801474565893
P2Gi = 0.0132315645673044
P3Gi = 0.126790594836765
PEPi = 0.0104013226052447
PYRi = 1.87974762229335
TRIOi = 3.03393493804436
end initial values

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

begin function definitions
end function definitions

begin events
end events

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

begin species annotations
ACE urn:miriam:kegg.compound:C00084
ACE urn:miriam:obo.chebi:CHEBI:15343
ACEo urn:miriam:kegg.compound:C00084
ACEo urn:miriam:obo.chebi:CHEBI:15343
AMP urn:miriam:kegg.compound:C00020
AMP urn:miriam:obo.chebi:CHEBI:16027
ATP urn:miriam:obo.chebi:CHEBI:15422
ATP urn:miriam:kegg.compound:C00002
BPG urn:miriam:obo.chebi:CHEBI:28907
BPG urn:miriam:kegg.compound:C00236
F16P urn:miriam:obo.chebi:CHEBI:16905
F16P urn:miriam:kegg.compound:C00354
F6P urn:miriam:obo.chebi:CHEBI:15946
F6P urn:miriam:kegg.compound:C00085
G3P urn:miriam:kegg.compound:C00093
G3P urn:miriam:obo.chebi:CHEBI:15978
G6P urn:miriam:kegg.compound:C00092
G6P urn:miriam:obo.chebi:CHEBI:17665
GLCi urn:miriam:kegg.compound:C00293
GLCi urn:miriam:obo.chebi:CHEBI:17234
NADH urn:miriam:obo.chebi:CHEBI:16908
NADH urn:miriam:kegg.compound:C00004
P2G urn:miriam:kegg.compound:C00631
P2G urn:miriam:obo.chebi:CHEBI:17835
P3G urn:miriam:kegg.compound:C00197
P3G urn:miriam:obo.chebi:CHEBI:17794
PEP urn:miriam:kegg.compound:C00074
PEP urn:miriam:obo.chebi:CHEBI:18021
PYR urn:miriam:obo.chebi:CHEBI:15361
PYR urn:miriam:kegg.compound:C00022
TRIO urn:miriam:kegg.compound:C00093
TRIO urn:miriam:obo.chebi:CHEBI:15978
TRIO urn:miriam:kegg.compound:C00661
TRIO urn:miriam:obo.chebi:CHEBI:17138
end species annotations

begin units
end units