#dupreez2



#reactions
v_ADH:
 {1.0}ACE + {1.0}NADH = $pool
  -(VmADH * (ETOH * NAD - ACE * NADH / KeqADH) / (KiADHNAD * KmADHETOH * (1 + ETOH * KmADHNAD / (KiADHNAD * KmADHETOH) + KmADHNADH * ACE / (KiADHNADH * KmADHACE) + NAD / KiADHNAD + ETOH * NAD / (KiADHNAD * KmADHETOH) + ETOH * ACE * NAD / (KiADHACE * KiADHNAD * KmADHETOH) + KmADHNADH * ACE * NAD / (KiADHNAD * KiADHNADH * KmADHACE) + NADH / KiADHNADH + ETOH * KmADHNAD * NADH / (KiADHNAD * KiADHNADH * KmADHETOH) + ACE * NADH / (KiADHNADH * KmADHACE) + ETOH * ACE * NADH / (KiADHETOH * KiADHNADH * KmADHACE))))
v_AK:
 $pool = {1.0}AMP + {1.0}ATP
  133.333 * (ADP**2 - AMP * ATP / KeqAK)
v_ALD:
 {1.0}F16P = {2.0}TRIO
  (VmALD*(F16P - (KeqTPI*TRIO**2)/(KeqALD*(1 + KeqTPI)**2)))/(KmALDF16P*(1 + F16P/KmALDF16P + TRIO/((1 + KeqTPI)*KmALDDHAP) + (KeqTPI*TRIO)/((1 + KeqTPI)*KmALDGAP) + (KeqTPI*F16P*TRIO)/((1 + KeqTPI)*KmALDF16P*KmALDGAPi) + (KeqTPI*TRIO**2)/((1 + KeqTPI)**2*KmALDDHAP*KmALDGAP)))
v_ATP:
 {1.0}ATP = $pool
  (KATPASE*ATP**nATP)/(KmATP**nATP + ATP**nATP)
v_ENO:
 {1.0}P2G = {1.0}PEP
  (VmENO*(P2G - PEP/KeqENO))/(KmENOP2G*(1 + P2G/KmENOP2G + PEP/KmENOPEP))
v_G3PA:
 {1.0}G3P = $pool
  (VmG3PA*G3P)/(KmG3PAG3P*(1 + Phi/KmG3PAPhi)*(1 + G3P/KmG3PAG3P))
v_G3PDH:
 {1.0}NADH + {1.0}TRIO = {1.0}G3P
  VmG3PDH * (-(G3P * NAD / KeqG3PDH) + NADH * TRIO / (1 + KeqTPI)) / (KmG3PDHDHAP * KmG3PDHNADH * (1 + ADP / KmG3PDHADP + ATP / KmG3PDHATP + F16P / KmG3PDHF16P) * (1 + NAD / KmG3PDHNAD + NADH / KmG3PDHNADH) * (1 + G3P / KmG3PDHG3P + TRIO / ((1 + KeqTPI) * KmG3PDHDHAP)))
v_GAPDH:
 {1.0}TRIO = {1.0}BPG + {1.0}NADH
  (-(VmGAPDHf * BPG * NADH / (KeqGAPDH * KmGAPDHGAP * KmGAPDHNAD)) + KeqTPI * VmGAPDHf * NAD * TRIO / ((1 + KeqTPI) * KmGAPDHGAP * KmGAPDHNAD)) / ((1 + NAD / KmGAPDHNAD + NADH / KmGAPDHNADH) * (1 + BPG / KmGAPDHBPG + KeqTPI * TRIO / ((1 + KeqTPI) * KmGAPDHGAP)))
v_GLK:
 {1.0}ATP + {1.0}GLCi = {1.0}G6P
  VmGLK * (-(ADP * G6P / KeqGLK) + ATP * GLCi) / (KmGLKATP * KmGLKGLCi * (1 + ADP / KmGLKADP + ATP / KmGLKATP) * (1 + G6P / KmGLKG6P + GLCi / KmGLKGLCi))
v_GLT:
 $pool = {1.0}GLCi
  VmGLT * (GLCo - GLCi / KeqGLT) / (KmGLTGLCo * (1 + GLCo / KmGLTGLCo + GLCi / KmGLTGLCi + alpha * GLCo * GLCi / (KmGLTGLCi * KmGLTGLCo)))
v_GLYCO:
 {1.0}ATP + {1.0}G6P = $pool
  KGLYCOGEN*ATP*G6P
v_PDC:
 {1.0}PYR = {1.0}ACE
  (VmPDC*PYR**nPDC)/(KmPDCPYR**nPDC*(1 + PYR**nPDC/KmPDCPYR**nPDC))
v_PFK:
 {1.0}ATP + {1.0}F6P = {1.0}F16P
  (gR*VmPFK*ATP*F6P*(1 + ATP/KmPFKATP + F6P/KmPFKF6P + (gR*ATP*F6P)/(KmPFKATP*KmPFKF6P)))/(KmPFKATP*KmPFKF6P*((L0*(1 + (CPFKAMP*AMP)/KPFKAMP)**2*(1 + (CiPFKATP*ATP)/KiPFKATP)**2*(1 + (CPFKATP*ATP)/KmPFKATP)**2*(1 + (CPFKF26BP*F26BP)/KPFKF26BP + (CPFKF16BP*F16P)/KPFKF16BP)**2)/((1 + AMP/KPFKAMP)**2*(1 + ATP/KiPFKATP)**2*(1 + F26BP/KPFKF26BP + F16P/KPFKF16BP)**2) + (1 + ATP/KmPFKATP + F6P/KmPFKF6P + (gR*ATP*F6P)/(KmPFKATP*KmPFKF6P))**2))
v_PGI:
 {1.0}G6P = {1.0}F6P
  (VmPGI*(-(F6P/KeqPGI) + G6P))/(KmPGIG6P*(1 + F6P/KmPGIF6P + G6P/KmPGIG6P))
v_PGK:
 {1.0}BPG = {1.0}ATP + {1.0}P3G
  VmPGK * (KeqPGK * ADP * BPG - ATP * P3G) / (KmPGKATP * KmPGKP3G * (1 + ADP / KmPGKADP + ATP / KmPGKATP) * (1 + BPG / KmPGKBPG + P3G / KmPGKP3G))
v_PGM:
 {1.0}P3G = {1.0}P2G
  (VmPGM*(-(P2G/KeqPGM) + P3G))/(KmPGMP3G*(1 + P2G/KmPGMP2G + P3G/KmPGMP3G))
v_PYK:
 {1.0}PEP = {1.0}ATP + {1.0}PYR
  VmPYK * (ADP * PEP - ATP * PYR / KeqPYK) / (KmPYKADP * KmPYKPEP * (1 + ADP / KmPYKADP + ATP / KmPYKATP) * (1 + PEP / KmPYKPEP + PYR / KmPYKPYR))
v_SUC:
 {2.0}ACE + {4.0}ATP = {3.0}NADH
  KSUCC*ACE
v_Treha:
 {1.0}ATP + {2.0}G6P = $pool
  KTREHALOSE*ATP*G6P


#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
default_compartment = 1.0


#initial values
ACE = 0.0320190578411128
AMP = 0.169126793522056
ATP = 2.88896546881255
BPG = 0.000272378466415018
F16P = 5.12303060629701
F6P = 1.35316959717949
G3P = 1.51464838664408
G6P = 5.23300353550081
GLCi = 0.0264527982731908
NADH = 0.570243405517748
P2G = 0.0219411145027765
P3G = 0.182294273856502
PEP = 0.0180777173496713
PYR = 2.26719823411809
TRIO = 2.65068578040418


#assignment rules
!F NAD = NADSUM - NADH
!F ADP = AXPsum - AMP - ATP