#ralser1

FIX: CO2 ETOH F26BP GLCo GLY SUCC X

#reactions
v6PGL:
 {1.0}D6PGluconoLactone = {1.0}D6PGluconate
  cytoplasm * (Vm6PGL * D6PGluconoLactone / (Km6PGL + D6PGluconoLactone))
vADH:
 {1.0}ACE + {1.0}NADH = {1.0}ETOH + {1.0}NAD
  cytoplasm * -(VmADH / (KiADHNAD * KmADHETOH) * (NAD * ETOH - NADH * ACE / KeqADH) / (1 + NAD / KiADHNAD + KmADHNAD * ETOH / (KiADHNAD * KmADHETOH) + KmADHNADH * ACE / (KiADHNADH * KmADHACE) + NADH / KiADHNADH + NAD * ETOH / (KiADHNAD * KmADHETOH) + KmADHNADH * NAD * ACE / (KiADHNAD * KiADHNADH * KmADHACE) + KmADHNAD * ETOH * NADH / (KiADHNAD * KmADHETOH * KiADHNADH) + NADH * ACE / (KiADHNADH * KmADHACE) + NAD * ETOH * ACE / (KiADHNAD * KmADHETOH * KiADHACE) + ETOH * NADH * ACE / (KiADHETOH * KiADHNADH * KmADHACE)))
vALD:
 {1.0}F16P = {1.0}DHAP + {1.0}GA3P
  cytoplasm * (VmALD * F16P / KmALDF16P * (1 - DHAP * GA3P / (F16P * KeqALD)) / (1 + F16P / KmALDF16P + DHAP / KmALDDHAP + GA3P / KmALDGAP + F16P * GA3P / (KmALDF16P * KmALDGAPi) + DHAP * GA3P / (KmALDDHAP * KmALDGAP)))
vATP:
 {1.0}P = {1.0}X
  cytoplasm * (KATPASE * (P - 4 * KeqAK * P - SUMAXP + pow(pow(P, 2) - 4 * KeqAK * pow(P, 2) - 2 * P * SUMAXP + 8 * KeqAK * P * SUMAXP + pow(SUMAXP, 2), 0.5)) / (2 - 8 * KeqAK))
vENO:
 {1.0}P2G = {1.0}PEP
  cytoplasm * (VmENO / KmENOP2G * (P2G - PEP / KeqENO) / (1 + P2G / KmENOP2G + PEP / KmENOPEP))
vG3PDH:
 {1.0}DHAP + {1.0}NADH = {1.0}GLY + {1.0}NAD
  cytoplasm * (VmG3PDH * (-(GLY * NAD / KeqG3PDH) + NADH * DHAP / (1 + KeqTPI)) / (KmG3PDHDHAP * KmG3PDHNADH * (1 + NAD / KmG3PDHNAD + NADH / KmG3PDHNADH) * (1 + GLY / KmG3PDHGLY + DHAP / ((1 + KeqTPI) * KmG3PDHDHAP))))
vG6PDH:
 {1.0}G6P + {1.0}NADP = {1.0}D6PGluconoLactone + {1.0}NADPH
  cytoplasm * (VmG6PDH * G6P * NADP / (KmG6P * KmNADP) / ((1 + G6P / KmG6P + NADPH / KiNADPH) * (1 + NADP / KmNADP)))
vGAPDH:
 {1.0}GA3P + {1.0}NAD = {1.0}BPG + {1.0}NADH
  cytoplasm * (k_rel_GAPDH * VmGAPDHf * GA3P * NAD / (KmGAPDHGAP * KmGAPDHNAD) * (1 - BPG * NADH / (GA3P * NAD * KeqGAPDH)) / ((1 + GA3P / KmGAPDHGAP + BPG / KmGAPDHBPG) * (1 + NAD / KmGAPDHNAD + NADH / KmGAPDHNADH)))
vGLK:
 {1.0}GLCi + {1.0}P = {1.0}G6P
  cytoplasm * (VmGLK * (-(G6P * (SUMAXP - pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((1 - 4 * KeqAK) * KeqGLK)) + GLCi * (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / (2 - 8 * KeqAK)) / (KmGLKATP * KmGLKGLCi * (1 + G6P / KmGLKG6P + GLCi / KmGLKGLCi) * (1 + (SUMAXP - pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((1 - 4 * KeqAK) * KmGLKADP) + (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((2 - 8 * KeqAK) * KmGLKATP))))
vGLT:
 {1.0}GLCo = {1.0}GLCi
  cytoplasm * (VmGLT * (GLCo - GLCi / KeqGLT) / (KmGLTGLCo * (1 + GLCo / KmGLTGLCo + GLCi / KmGLTGLCi + 0.91 * GLCo * GLCi / (KmGLTGLCi * KmGLTGLCo))))
vGluDH:
 {1.0}D6PGluconate + {1.0}NADP = {1.0}Ribulose5P + {1.0}NADPH
  cytoplasm * (VmGluDH * D6PGluconate * NADP / (KmGluconate * KmNADP) / ((1 + D6PGluconate / KmGluconate + NADPH / KiNADPH) * (1 + NADP / KmNADP)))
vNADPH:
 {1.0}NADPH = {1.0}NADP
  cytoplasm * kNADPH * NADPH
vPDC:
 {1.0}PYR = {1.0}ACE + {1.0}CO2
  cytoplasm * (VmPDC * pow(PYR, nPDC) / pow(KmPDCPYR, nPDC) / (1 + pow(PYR, nPDC) / pow(KmPDCPYR, nPDC)))
vPFK:
 {1.0}F6P + {1.0}P = {1.0}F16P
  cytoplasm * (gR * VmPFK * F6P * (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) * (1 + F6P / KmPFKF6P + (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((2 - 8 * KeqAK) * KmPFKATP) + gR * F6P * (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((2 - 8 * KeqAK) * KmPFKATP * KmPFKF6P)) / ((2 - 8 * KeqAK) * KmPFKATP * KmPFKF6P * (L0 * pow(1 + CPFKF26BP * F26BP / KPFKF26BP + CPFKF16BP * F16P / KPFKF16BP, 2) * pow(1 + 2 * CPFKAMP * KeqAK * pow(SUMAXP - pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5), 2) / ((-1 + 4 * KeqAK) * KPFKAMP * (SUMAXP - P + 4 * KeqAK * P - pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5))), 2) * pow(1 + CiPFKATP * (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((2 - 8 * KeqAK) * KiPFKATP), 2) * pow(1 + CPFKATP * (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((2 - 8 * KeqAK) * KmPFKATP), 2) / (pow(1 + F26BP / KPFKF26BP + F16P / KPFKF16BP, 2) * pow(1 + 2 * KeqAK * pow(SUMAXP - pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5), 2) / ((-1 + 4 * KeqAK) * KPFKAMP * (SUMAXP - P + 4 * KeqAK * P - pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5))), 2) * pow(1 + (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((2 - 8 * KeqAK) * KiPFKATP), 2)) + pow(1 + F6P / KmPFKF6P + (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((2 - 8 * KeqAK) * KmPFKATP) + gR * F6P * (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((2 - 8 * KeqAK) * KmPFKATP * KmPFKF6P), 2))))
vPGI:
 {1.0}G6P = {1.0}F6P
  cytoplasm * (VmPGI / KmPGIG6P * (G6P - F6P / KeqPGI) / (1 + G6P / KmPGIG6P + F6P / KmPGIF6P))
vPGK:
 {1.0}BPG = {1.0}P3G + {1.0}P
  cytoplasm * (VmPGK * (KeqPGK * BPG * (SUMAXP - pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / (1 - 4 * KeqAK) - (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) * P3G / (2 - 8 * KeqAK)) / (KmPGKATP * KmPGKP3G * (1 + (SUMAXP - pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((1 - 4 * KeqAK) * KmPGKADP) + (-SUMAXP + P - 4 * KeqAK * P + pow(pow(SUMAXP, 2) - 2 * SUMAXP * P + 8 * KeqAK * SUMAXP * P + pow(P, 2) - 4 * KeqAK * pow(P, 2), 0.5)) / ((2 - 8 * KeqAK) * KmPGKATP)) * (1 + BPG / KmPGKBPG + P3G / KmPGKP3G)))
vPGM:
 {1.0}P3G = {1.0}P2G
  cytoplasm * (VmPGM / KmPGMP3G * (P3G - P2G / KeqPGM) / (1 + P3G / KmPGMP3G + P2G / KmPGMP2G))
vPPI:
 {1.0}Ribulose5P = {1.0}Ribose5P
  cytoplasm * ((VmPPIf * Ribulose5P / KmRibu5P - VmPPIr * Ribose5P / KmRibo5P) / (1 + Ribulose5P / KmRibu5P + Ribose5P / KmRibo5P))
vPYK:
 {1.0}PEP = {1.0}PYR + {1.0}P
  cytoplasm * (VmPYK / (KmPYKPEP * KmPYKADP) * (PEP * (SUMAXP - pow(pow(P, 2) - 4 * KeqAK * pow(P, 2) - 2 * P * SUMAXP + 8 * KeqAK * P * SUMAXP + pow(SUMAXP, 2), 0.5)) / (1 - 4 * KeqAK) - PYR * (P - 4 * KeqAK * P - SUMAXP + pow(pow(P, 2) - 4 * KeqAK * pow(P, 2) - 2 * P * SUMAXP + 8 * KeqAK * P * SUMAXP + pow(SUMAXP, 2), 0.5)) / (2 - 8 * KeqAK) / KeqPYK) / ((1 + PEP / KmPYKPEP + PYR / KmPYKPYR) * (1 + (P - 4 * KeqAK * P - SUMAXP + pow(pow(P, 2) - 4 * KeqAK * pow(P, 2) - 2 * P * SUMAXP + 8 * KeqAK * P * SUMAXP + pow(SUMAXP, 2), 0.5)) / (2 - 8 * KeqAK) / KmPYKATP + (SUMAXP - pow(pow(P, 2) - 4 * KeqAK * pow(P, 2) - 2 * P * SUMAXP + 8 * KeqAK * P * SUMAXP + pow(SUMAXP, 2), 0.5)) / (1 - 4 * KeqAK) / KmPYKADP)))
vR5PI:
 {1.0}Ribulose5P = {1.0}Xyl5P
  cytoplasm * ((VmR5PIf * Ribulose5P / KmRibu5P - VmR5PIr * Xyl5P / KmXyl) / (1 + Ribulose5P / KmRibu5P + Xyl5P / KmXyl))
vSUC:
 {2.0}ACE + {3.0}NAD = {3.0}NADH + {1.0}SUCC
  cytoplasm * KSUCC * ACE
vTPI:
 {1.0}GA3P = {1.0}DHAP
  cytoplasm * (k_rel_TPI * (VmDHAP * GA3P / KmGA3P - VmGA3P * DHAP / KmDHAP) / (1 + GA3P / KmGA3P + DHAP / KmDHAP))
vTransald:
 {1.0}Seduhept7P + {1.0}GA3P = {1.0}F6P + {1.0}Erythrose4P
  cytoplasm * ((VmTransaldf * GA3P * Seduhept7P / (KmGA3P * KmSeduhept) - VmTransaldr * F6P * Erythrose4P / (KmF6P * KmEry4P)) / ((1 + GA3P / KmGA3P + F6P / KmF6P) * (1 + Seduhept7P / KmSeduhept + Erythrose4P / KmEry4P)))
vTransk1:
 {1.0}Ribose5P + {1.0}Xyl5P = {1.0}GA3P + {1.0}Seduhept7P
  cytoplasm * ((VmTransk1f * Ribose5P * Xyl5P / (KmRibose5P * KmXyl5P) - VmTransk1r * GA3P * Seduhept7P / (KmGA3P * KmSeduhept)) / ((1 + Ribose5P / KmRibose5P + GA3P / KmGA3P) * (1 + Xyl5P / KmXyl5P + Seduhept7P / KmSeduhept)))
vTransk2:
 {1.0}Xyl5P + {1.0}Erythrose4P = {1.0}GA3P + {1.0}F6P
  cytoplasm * ((VmTransk2f * Erythrose4P * Xyl5P / (KmEry4P * KmXyl5P) - VmTransk2r * F6P * GA3P / (KmF6P * KmGA3P)) / ((1 + Xyl5P / KmXyl5P + GA3P / KmGA3P) * (1 + Erythrose4P / KmEry4P + F6P / KmF6P)))


#parameters
SUMAXP = 4.1
k_rel_GAPDH = 1.0
k_rel_TPI = 1.0
CO2 = 1.0
ETOH = 50.0
F26BP = 0.02
GLCo = 50.0
GLY = 0.15
SUCC = 0.1
X = 0.1
vGLK_VmGLK = 226.452
vGLK_KeqAK = 0.45
vGLK_KeqGLK = 3800.0
vGLK_KmGLKATP = 0.15
vGLK_KmGLKGLCi = 0.08
vGLK_KmGLKG6P = 30.0
vGLK_KmGLKADP = 0.23
vPGI_VmPGI = 339.677
vPGI_KmPGIG6P = 1.4
vPGI_KeqPGI = 0.314
vPGI_KmPGIF6P = 0.3
vPFK_gR = 5.12
vPFK_VmPFK = 182.903
vPFK_KeqAK = 0.45
vPFK_KmPFKF6P = 0.1
vPFK_KmPFKATP = 0.71
vPFK_L0 = 0.66
vPFK_CPFKF26BP = 0.0174
vPFK_KPFKF26BP = 0.000682
vPFK_CPFKF16BP = 0.397
vPFK_KPFKF16BP = 0.111
vPFK_CPFKAMP = 0.0845
vPFK_KPFKAMP = 0.0995
vPFK_CiPFKATP = 100.0
vPFK_KiPFKATP = 0.65
vPFK_CPFKATP = 3.0
vALD_VmALD = 322.258
vALD_KeqTPI = 0.045
vALD_KeqALD = 0.069
vALD_KmALDF16P = 0.3
vALD_KmALDDHAP = 2.4
vALD_KmALDGAP = 2.0
vALD_KmALDGAPi = 10.0
vG3PDH_VmG3PDH = 70.15
vG3PDH_KeqG3PDH = 4300.0
vG3PDH_KeqTPI = 0.045
vG3PDH_KmG3PDHDHAP = 0.4
vG3PDH_KmG3PDHNADH = 0.023
vG3PDH_KmG3PDHNAD = 0.93
vG3PDH_KmG3PDHGLY = 1.0
vGAPDH_VmGAPDHr = 6549.68
vGAPDH_KmGAPDHBPG = 0.0098
vGAPDH_KmGAPDHNADH = 0.06
vGAPDH_KeqTPI = 0.045
vGAPDH_VmGAPDHf = 1184.52
vGAPDH_KmGAPDHGAP = 0.21
vGAPDH_KmGAPDHNAD = 0.09
vGAPDH_KeqGAPDH = 0.005
vPGK_VmPGK = 1306.45
vPGK_KeqPGK = 3200.0
vPGK_KeqAK = 0.45
vPGK_KmPGKATP = 0.3
vPGK_KmPGKP3G = 0.53
vPGK_KmPGKADP = 0.2
vPGK_KmPGKBPG = 0.003
vPGM_VmPGM = 2525.81
vPGM_KmPGMP3G = 1.2
vPGM_KeqPGM = 0.19
vPGM_KmPGMP2G = 0.08
vENO_VmENO = 365.806
vENO_KmENOP2G = 0.04
vENO_KeqENO = 6.7
vENO_KmENOPEP = 0.5
vPYK_VmPYK = 1088.71
vPYK_KmPYKPEP = 0.14
vPYK_KmPYKADP = 0.53
vPYK_KeqAK = 0.45
vPYK_KeqPYK = 6500.0
vPYK_KmPYKPYR = 21.0
vPYK_KmPYKATP = 1.5
vPDC_VmPDC = 174.194
vPDC_nPDC = 1.9
vPDC_KmPDCPYR = 4.33
vSUC_KSUCC = 21.4
vADH_VmADH = 810.0
vADH_KiADHNAD = 0.92
vADH_KmADHETOH = 17.0
vADH_KeqADH = 6.9e-05
vADH_KmADHNAD = 0.17
vADH_KmADHNADH = 0.11
vADH_KiADHNADH = 0.031
vADH_KmADHACE = 1.11
vADH_KiADHACE = 1.1
vADH_KiADHETOH = 90.0
vATP_KATPASE = 39.5
vATP_KeqAK = 0.45
vTPI_KmGA3P = 1.27
vTPI_KmDHAP = 1.23
vTPI_VmDHAP = 10900.0
vTPI_VmGA3P = 555.0
vG6PDH_VmG6PDH = 4.0
vG6PDH_KmG6P = 0.04
vG6PDH_KmNADP = 0.02
vG6PDH_KiNADPH = 0.017
v6PGL_Vm6PGL = 4.0
v6PGL_Km6PGL = 0.8
vGluDH_VmGluDH = 4.0
vGluDH_KmGluconate = 0.02
vGluDH_KmNADP = 0.03
vGluDH_KiNADPH = 0.03
vPPI_VmPPIf = 3458.0
vPPI_VmPPIr = 3458.0
vPPI_KmRibu5P = 1.6
vPPI_KmRibo5P = 1.6
vTransk1_VmTransk1f = 4.0
vTransk1_VmTransk1r = 2.0
vTransk1_KmRibose5P = 0.1
vTransk1_KmXyl5P = 0.15
vTransk1_KmGA3P = 0.1
vTransk1_KmSeduhept = 0.15
vR5PI_VmR5PIf = 1039.0
vR5PI_VmR5PIr = 1039.0
vR5PI_KmRibu5P = 1.5
vR5PI_KmXyl = 1.5
vTransald_VmTransaldf = 55.0
vTransald_VmTransaldr = 10.0
vTransald_KmGA3P = 0.22
vTransald_KmSeduhept = 0.18
vTransald_KmF6P = 0.32
vTransald_KmEry4P = 0.018
vTransk2_VmTransk2f = 3.2
vTransk2_VmTransk2r = 43.0
vTransk2_KmXyl5P = 0.16
vTransk2_KmEry4P = 0.09
vTransk2_KmF6P = 1.1
vTransk2_KmGA3P = 2.1
vNADPH_kNADPH = 2.0
vGLT_VmGLT = 97.264
vGLT_KeqGLT = 1.0
vGLT_KmGLTGLCo = 1.1918
vGLT_KmGLTGLCi = 1.1918
cytoplasm = 1.0
extracellular = 1.0


#initial values
ACE = 0.04
BPG = 0.1
D6PGluconate = 0.1
D6PGluconoLactone = 0.1
DHAP = 1.0
Erythrose4P = 0.0
F16P = 0.1
F6P = 0.28
G6P = 1.39
GA3P = 0.05
GLCi = 0.087
NAD = 1.2
NADH = 0.39
NADP = 0.4
NADPH = 1.6
P = 5.0
P2G = 0.1
P3G = 0.1
PEP = 0.1
PYR = 3.36
Ribose5P = 0.1
Ribulose5P = 0.1
Seduhept7P = 0.1
Xyl5P = 0.1


#assignment rules
!F ratio_NADPH_NADP = NADPH / NADP