#marinhernandez2

FIX: Cit Ery4P F26BP Gluout Lacout Pi Xy5P _6PG glycogen

#reactions
AK:
 {1.0}ATP + {1.0}AMP = {2.0}ADP
  compartment * (k1 * ATP * AMP - k2 * pow(ADP, 2))
ALDO:
 {1.0}FBP = {1.0}DHAP + {1.0}G3P
  compartment * ALDO_rate_equation(FBP, DHAP, G3P, Vmf, Kfbp, Vmr, Kdhap, Kg3p)
ATPases:
 {1.0}ATP = {1.0}ADP + {1.0}Pi
  compartment * k1 * ATP
DHases:
 {1.0}NADH = {1.0}NAD
  compartment * (k1 * NADH - k2 * NAD)
ENO:
 {1.0}_2PG = {1.0}PEP
  compartment * Reversible_Michaelis_Menten(_2PG, PEP, Kms, Kmp, Vf, Vr)
GAPDH:
 {1.0}NAD + {1.0}G3P + {1.0}Pi = {1.0}_13BPG + {1.0}NADH
  compartment * GAPDH_0(NAD, G3P, Pi, _13BPG, NADH, Vmf, Knad, Kg3p, Kp, Vmr, Kdpg, Knadh)
GLUT:
 {1.0}Gluout = {1.0}Gluin
  compartment * GLUT_isoforms_rate_equation(Gluout, Gluin, Vmf, f1, Keq, Kgluout, Kgluin, f2, Keq1, Kgluout1, Kgluin1)
Glycogen_degradation:
 {1.0}glycogen + {1.0}Pi = {1.0}G6P
  compartment * Constant_flux__irreversible(v)
Glycogen_synthesis:
 {1.0}G6P + {1.0}ATP = {1.0}glycogen + {1.0}ADP + {2.0}Pi
  compartment * Constant_flux__irreversible(v)
HK:
 {1.0}Gluin + {1.0}ATP = {1.0}G6P + {1.0}ADP
  compartment * HK_isoforms_rate_equation(Gluin, ATP, G6P, ADP, Vm, f1, Ka, Kb, Keq, Kp, Kq, f2, Ka2)
HPI:
 {1.0}G6P = {1.0}F6P
  compartment * HPI_rate_equation(G6P, F6P, Ery4P, FBP, _6PG, Vmf, Kg6p, Vmr, Kf6p, Kery4p, Kfbp, Kpg)
LDH:
 {1.0}NADH + {1.0}Pyr = {1.0}Lacin + {1.0}NAD
  compartment * Random_Bi_Bi_reversible_Michaelis_Menten(NADH, Pyr, Lacin, NAD, Vmf, alfa, Ka, Kb, Vmr, beta, Kp, Kq)
MCT1:
 {1.0}Lacin = {1.0}Lacout
  compartment * MCT1_0(Lacin, Lacout, Vmf, Keq, Klacin, Klacout)
MPM:
 {1.0}Pyr + {13.0}ADP + {13.0}Pi = {13.0}ATP
  compartment * Constant_flux__irreversible(v)
OxPhos:
 {1.0}ADP + {1.0}Pi = {1.0}ATP
  compartment * Constant_flux__irreversible(v)
PFK1:
 {1.0}F6P + {1.0}ATP = {1.0}FBP + {1.0}ADP
  compartment * PFK_1_rate_equation(F6P, ATP, FBP, ADP, F26BP, Cit, Vm, Katp, beta, alfa, Kf26bp, Kf6p, L, Kcit, Kiatp, Kadp, Kfbp, Keq)
PGAM:
 {1.0}_3PG = {1.0}_2PG
  compartment * Reversible_Michaelis_Menten(_3PG, _2PG, Kms, Kmp, Vf, Vr)
PGK:
 {1.0}_13BPG + {1.0}ADP = {1.0}_3PG + {1.0}ATP
  compartment * Random_Bi_Bi_reversible_Michaelis_Menten(_13BPG, ADP, _3PG, ATP, Vmf, alfa, Ka, Kb, Vmr, beta, Kp, Kq)
PPP:
 {1.0}G6P = {1.0}_6PG
  compartment * Constant_flux__irreversible(v)
PYK:
 {1.0}PEP + {1.0}ADP = {1.0}Pyr + {1.0}ATP
  compartment * PYK_kinetics(PEP, ADP, Pyr, ATP, Vmax, Kpep, Kadp, Keq, Kpyr, Katp)
TK:
 {1.0}Xy5P + {1.0}Ery4P = {1.0}G3P + {1.0}F6P
  compartment * Constant_flux__irreversible(v)
TPI:
 {1.0}DHAP = {1.0}G3P
  compartment * Reversible_Michaelis_Menten(DHAP, G3P, Kms, Kmp, Vf, Vr)


#parameters
Cit = 1.7
Ery4P = 0.12
F26BP = 0.0042
Gluout = 5.0
Lacout = 4.6
Pi = 4.0
Xy5P = 0.016
_6PG = 0.56
glycogen = 11.0
GLUT_Vmf = 0.018
GLUT_f1 = 0.9
GLUT_Keq = 1.0
GLUT_Kgluout = 1.8
GLUT_Kgluin = 10.0
GLUT_f2 = 0.1
GLUT_Keq1 = 1.0
GLUT_Kgluout1 = 9.3
GLUT_Kgluin1 = 10.0
HK_Vm = 0.051
HK_f1 = 0.6
HK_Ka = 0.03
HK_Kb = 1.1
HK_Keq = 651.0
HK_Kp = 0.02
HK_Kq = 3.5
HK_f2 = 0.4
HK_Ka2 = 0.3
HPI_Vmf = 0.402
HPI_Kg6p = 0.4
HPI_Vmr = 0.914
HPI_Kf6p = 0.05
HPI_Kery4p = 0.001
HPI_Kfbp = 0.06
HPI_Kpg = 0.015
PFK1_Vm = 0.026
PFK1_Katp = 0.0292
PFK1_beta = 1.18
PFK1_alfa = 0.75
PFK1_Kf26bp = 0.00099
PFK1_Kf6p = 1.1
PFK1_L = 6.6
PFK1_Kcit = 6.7
PFK1_Kiatp = 1.1
PFK1_Kadp = 5.0
PFK1_Kfbp = 5.0
PFK1_Keq = 247.0
ALDO_Vmf = 0.08
ALDO_Kfbp = 0.009
ALDO_Vmr = 0.063
ALDO_Kdhap = 0.08
ALDO_Kg3p = 0.16
TPI_Kms = 1.6
TPI_Kmp = 0.51
TPI_Vf = 3.4
TPI_Vr = 28.0
GAPDH_Vmf = 0.592
GAPDH_Knad = 0.09
GAPDH_Kg3p = 0.19
GAPDH_Kp = 11.0
GAPDH_Vmr = 0.74
GAPDH_Kdpg = 0.022
GAPDH_Knadh = 0.01
PGK_Vmf = 8.7
PGK_alfa = 1.0
PGK_Ka = 0.079
PGK_Kb = 0.04
PGK_Vmr = 2.5
PGK_beta = 1.0
PGK_Kp = 0.13
PGK_Kq = 0.27
PGAM_Kms = 0.19
PGAM_Kmp = 0.12
PGAM_Vf = 0.94
PGAM_Vr = 0.36
ENO_Kms = 0.038
ENO_Kmp = 0.06
ENO_Vf = 0.34
ENO_Vr = 0.38
PYK_Vmax = 0.091
PYK_Kpep = 0.05
PYK_Kadp = 0.4
PYK_Keq = 195172.4
PYK_Kpyr = 10.0
PYK_Katp = 0.86
LDH_Vmf = 0.598
LDH_alfa = 1.0
LDH_Ka = 0.002
LDH_Kb = 0.3
LDH_Vmr = 0.095
LDH_beta = 1.0
LDH_Kp = 4.7
LDH_Kq = 0.07
Glycogen_degradation_v = 0.003
ATPases_k1 = 0.0029
AK_k1 = 1.0
AK_k2 = 2.26
DHases_k1 = 250.0
DHases_k2 = 1.0
PPP_v = 9.5e-05
Glycogen_synthesis_v = 0.001
MPM_v = 0.0001
TK_v = 9.5e-05
MCT1_Vmf = 0.1
MCT1_Keq = 1.0
MCT1_Klacin = 8.5
MCT1_Klacout = 0.5
OxPhos_v = 0.01875
compartment = 1.0


#initial values
ADP = 2.4
AMP = 1.6
ATP = 14.5
DHAP = 0.8
F6P = 1.6
FBP = 0.5
G3P = 0.4
G6P = 3.5
Gluin = 0.001
Lacin = 33.0
NAD = 1.3
NADH = 0.05
PEP = 0.5
Pyr = 3.0
_13BPG = 0.001
_2PG = 0.001
_3PG = 0.001


#assignment rules