# Biossíntese de PHAmcl a partir de glicose considerando também a biossíntese de biomassa 
# considera vias ED (ciclica ou não), PPP, CK, Glioxilato, anapleróticas, transidrogenase e respiração aeróbia de coenzimas 
# 10000 XR igual a 1.000.000 g de XR ou 1 XR igual a 100 g
#
# 2017: removed VP5, put ATP and ADP as internal metabolites
# subversion: 10
# 10: implemented larger fatty acid synthesis to synthesize FAT and export FAT, locked carbon source input mixture composition
# 09: implemented HA monomer formation as sequential spiral, locked PHA composition and locked PHA to XR composition
# 08: added fructose intake, reordered external metabolites, turned O into O2 and improved P:O ratio, fixed reversibility of transhydrogenases
# 07: added UDH and C12d5
#
# BIOMASSA : 205 G6P + 71 F6P + 897 Rb5P + 361 E4P + 129 G3P + 1496 PG3 + 519 PEP + 2833 PIR + 3748 AcCoA + 1079 KG2 + 1787 OAA + 3547 NAD + 18225 NADPH + 18485 ATP = 10000 XR + 18485 ADP + 3547 NADH + 18225 NADP + 3748 CoASH .

-ENZREV
EMP2A EMP2B EMP4 EMP5 EMP6 EMP7 EMP8 EMP9 VP6 VP7 VP8 VP9 VP10 CK5 CK6 CK7 CK8 PGLU_SD PGLN_SD PASP_SD

-ENZIRREV
EMP1A EMP1B ED1 ED2 EMP10 CPD VP1 CK1 CK2 CK3 CK4 CGLX1 CGLX2 GLN3 AD1 AD2 F04 F06 F08 F10 F12 F12d5 F12g FPHA F14 F14g F16g F16d9g F16g2 F18d11g FATI FLPS FPGLYC FCARD FPETAM OXFAD OXNAD TRANS UDH BIOTOT CINTAKE BIO PPROT PSER_S

-METINT
Gliex Fruex ADP ATP C04 C06 C08 C10 C12 C12d5 PHA C12g C14 C14g C16g C16d9g C18d11g FAT LPS CARD PGLYC PETAM XR PROT G6P F1P KDPG2 NADP NADPH PG6 PIR G3P BPG13 PG3 PG2 PEP AcCoA Rbl5P Rb5P X5P S7P E4P F6P DHP F16P OAA Cit KG2 IsoCit SucCoA Suc Fum Mal GLX FAD FADH2 NAD NADH CoASH ASP GLN GLU SER

-METEXT
Csource O2 CO2 XT NH3 ALA FMET ARG ASN CYS GLY HIS ILE LEU LYS MET PHE PRO THR TRP TYR VAL

-CAT
EMP1B : Fruex + ATP = F1P + ADP .
EMP2B : F1P + ATP = F16P + ADP .
EMP1A : Gliex + ATP = G6P + ADP .
EMP2A : G6P = F6P .
ED1 : PG6 = KDPG2 .
ED2 : KDPG2 = PIR + G3P .
EMP4 : F16P = G3P + DHP .
EMP5 : DHP = G3P .
EMP6 : G3P + NAD = BPG13 + NADH .
EMP7 : BPG13 + ADP = PG3 + ATP .
EMP8 : PG3 = PG2 .
EMP9 : PG2 = PEP .
EMP10 : PEP + ADP = PIR + ATP .
CPD : PIR + NAD + CoASH = AcCoA + NADH + CO2 .
VP1 : G6P + NADP = PG6 + NADPH .
VP6 : Rbl5P = Rb5P .
VP7 : Rbl5P = X5P .
VP8 : Rb5P + X5P = S7P + G3P .
VP9 : G3P + S7P = E4P + F6P .
VP10 : X5P + E4P = F6P + G3P .
CK1 : OAA + AcCoA = Cit + CoASH .
CK2 : Cit = IsoCit .
CK3 : IsoCit + NADP = KG2 + NADPH + CO2 .
CK4 : KG2 + NAD + CoASH = SucCoA + NADH + CO2 .
CK5 : SucCoA + ADP = Suc + ATP + CoASH .
CK6 : Suc + FAD = Fum + FADH2 .
CK7 : Fum = Mal .
CK8 : Mal + NAD = OAA + NADH .
CGLX1 : IsoCit = GLX + Suc .
CGLX2 : GLX + AcCoA = Mal + CoASH .
GLN3 : F16P = F6P .
AD1 : PIR + CO2 + ATP = OAA + ADP .
AD2 : OAA + ATP = PEP + ADP + CO2 .
F04 : 2 AcCoA + 1 NADPH + 1 ATP = C04 + 2 CoASH + 1 NADP + 1 ADP .
F06 : C04 + 1 AcCoA + 2 NADPH + 1 ATP = C06 + 1 CoASH + 2 NADP + 1 ADP .
F08 : C06 + 1 AcCoA + 2 NADPH + 1 ATP = C08 + 1 CoASH + 2 NADP + 1 ADP .
F10 : C08 + 1 AcCoA + 2 NADPH + 1 ATP = C10 + 1 CoASH + 2 NADP + 1 ADP .
F12 : C10 + 1 AcCoA + 2 NADPH + 1 ATP = C12 + 1 CoASH + 2 NADP + 1 ADP .
F12d5 : C10 + 1 AcCoA + 1 NADPH + 1 ATP = C12d5 + 1 CoASH + 1 NADP + 1 ADP .
FPHA : 26 C06 + 210 C08 + 616 C10 + 52 C12 + 95 C12d5 = 1000 PHA .
F12g : C12 + NADPH = C12g + NADP .
F14 : C12g + 1 AcCoA + 1 NADPH + 1 ATP = C14 + 1 CoASH + 1 NADP + 1 ADP .
F14g : C14 + NADPH = C14g + NADP .
F16g : C14g + 1 AcCoA + 2 NADPH + 1 ATP = C16g + 1 CoASH + 2 NADP + 1 ADP .
F16d9g : C12d5 + 2 AcCoA + 5 NADPH + 2 ATP = C16d9g + 2 CoASH + 5 NADP + 2 ADP .
F16g2 : C16d9g + NADPH = C16g + NADP .
F18d11g : C16d9g + 1 AcCoA + 2 NADPH + 1 ATP = C18d11g + 1 CoASH + 2 NADP + 1 ADP .
FATI : 7 C10 + 6 C12 + 9 C12g + 29 C16g + 32 C16d9g + 17 C18d11g + 50 DHP + 13 ATP + 50 NADPH + 6 NAD + 9 O2 = 13 ADP + 50 NADP + 6 NADH + 18 CO2 + G6P + 6 Rb5P + 12 GLX + 1 FAT .
FLPS : 4 C14 + C12g + C14g + 33 ATP + 4 NADPH + 3 Rb5P + 8 G6P + 2 F6P + 4 S7P + 3 PEP = 1 LPS + 33 ADP + 4 NADP .
FPGLYC : 1 FAT + 50 NADPH + 100 ATP + 50 DHP = 1 PGLYC + 50 NADP + 100 ADP .
FCARD : 1 FAT + 100 ATP + 1 PGLYC = 1 CARD + 100 ADP .
FPETAM : 1 FAT + 100 ATP = 1 PETAM + 50 CO2 + 100 ADP .
OXFAD : FADH2 + 1.5 ADP + 0.5 O2 = FAD + 1.5 ATP .
OXNAD : NADH + 2.5 ADP + 0.5 O2 = NAD + 2.5 ATP .
TRANS : NADH + ATP + NADP = NADPH + NAD + ADP .
UDH : NAD + NADPH = NADP + NADH .
BIOTOT : 1 XR + 1.32 PHA + 0.0084 LPS + 0.000129 CARD + 0.000464 PGLYC + 0.00194 PETAM = 1 XT .
CINTAKE : 1 Csource = 3.2464 Gliex + 3.5964 Fruex .
BIO : 0.6 PROT + 0.0084 LPS + 0.000129 CARD + 0.000464 PGLYC + 0.00194 PETAM + 0.000576 AcCoA = 1 XR + 0.000576 CoASH .
PPROT : 0.5137 ALA + 0.000223 FMET + 0.2958 ARG + 0.2411 ASN + 0.2411 ASP + 0.09158 CYS + 0.2632 GLN + 0.2632 GLU + 0.6126 GLY + 0.09474 HIS + 0.2905 ILE + 0.4505 LEU + 0.3432 LYS + 0.1537 MET + 0.1759 PHE + 0.2211 PRO + 0.2158 SER + 0.2537 THR + 0.05684 TRP + 0.1379 TYR + 0.4232 VAL = 1 PROT .
PGLU_SD : KG2 + NADPH + NH3 = GLU + NADP .
PGLN_SD : 2 GLU + NADP = GLN + NADPH + KG2 .
PSER_S : GLU + PG3 + NAD = SER + KG2 + NADH .
PASP_SD : ASP + KG2 = OXA + GLU .