% Metabolites excluded for flux balances and left free for fitting

excludedmets 20 21 22 23

% Acetate transport inside cell

1: AB(24) -> AB(1)

% Acetyl-CoA transferase: Acetate + Succinyl-CoA <-> Acetyl-CoA + Succinate

2: AB(1) + CDEF(9) -> AB(2) + CDEF(10)

% Leu synthesis

3: AB(2) + CDE(4) + FGH(4) -> ABDGHE(3) + F(20) + C(20)

% Pyruvate ferredoxin oxidoreductase: Acetyl-CoA + CO2 + ferrodoxin -> ferrodoxin + CoA + pyruvate

4: AB(2) + C(20) -> CAB(4)

% Citrate synthase: Ac-CoA + H2O + oxaloacetate -> citrate + CoA (symmetric? -> dcbABa ) CHECK!!

5: AB(2) + abcd(13) -> dcbBAa(5) 

% Aconitate hydratase 1: citrate -> cis-aconitate + H2O 

6: ABCDEF(5) -> ABCDEF(6)

% Isocitrate dehydrogenase: isocitrate + NAD -> 2-oxoglutarate + CO2 + NADH + H

7: ABCDEF(6) -> ABCDE(7) + F(20)

% Aspartate transaminase: L-aspartate + 2-oxoglutarate -> oxaloacetate + L-glutamate

8: ABCDE(7) -> ABCDE(8)

% 2-oxoglutarate dehydrogenase: 2-oxoglutarate +  CoA + NAD -> succinyl-CoA + CO2 + NADH

9: ABCDE(7) -> A(20) + BCDE(9) 

% Succinyl-CoA hydrolase: succinyl-CoA + Pi + ADP -> succinate + ATP + CoA

10: ABCD(9) -> ABCD(10) :: ABCD(9) -> DCBA(10)

% Succinate dehydrogenase: succinate + ubiquinone -> fumarate + ubiquinol

11: ABCD(10) -> ABCD(11)

% Fumarase: fumarate + H2O -> Malate

12: ABCD(11) -> ABCD(12)

% Malate dehydrogenase: malate + NAD -> oxaloacetate + NADH 

13: ABCD(12) -> ABCD(13)

% Asp synthesis

14: ABCD(13) -> ABCD(14)

% Pyruvate carboxylase: ATP + Pyruvate + HCO3 -> ADP + oxaloacetate + H3PO4 (CHECK carbon position)

15: ABC(4) + D(22) -> ABCD(13)

% Malate dehydrogenase: malate + NAD -> pyruvate + CO2 + NADH + H

16: ABC(4) + D(20)->  ABCD(12)

% Val synthesis: 4pyruvate + NADPH -> 2CO2 + L-valine + oxoglutarate + 2NADP + 2H

17: ABC(4) + abc(4) -> ABbcC(19) + a(20) 

% Pyruvate kinase : ATP + pyruvate -> ADP + phosphoenolpyruvate. IS THIS REVERSIBLE??? 

18: ABC(4) -> ABC(15)

% Enolase and Phosphoglycerate mutase: phosphoenolpyrutate + H2O -> 2-phospho-D-glycerate -> 3-phospho-D-glycerate

19: ABC(15) -> ABC(16)

% Serine production

20: ABC(16) -> ABC(17)

% Glycine dehydrogenase, aminomethyltransferase .... etc

21: ABC(17) ->  AB(18) + C(23)

% Pyruvate formate lyase: 

22: A(21) + BC(2) -> ABC(4) 

% Acetate kinase + phosphate acetyltransferase: Acetate + ATP + CoA -> ADP + Pi + Acetyl-CoA

23: AB(1) -> AB(2)

% Glycine into C1 metabolism

24: AB(18) -> A(23) + B(20)

% Reaction 9 reversed

25: A(20) + BCDE(9) -> ABCDE(7) 

% Reaction 16 reversed

26: ABCD(12) -> ABC(4) + D(20)

% Reaction 10 reversed

27: ABCD(10) -> ABCD(9) :: ABCD(10) -> DCBA(9)

% Reaction 15 reversed

28: ABCD(13) -> ABC(4) + D(22) 

% Reaction 21 reversed

29: AB(18) + C(23) -> ABC(17)

% Reaction 24 reversed

30: A(23) + B(20) ->  AB(18) 

% Phosphoenolpyruvate carboxykinase

31: ABC(15) + D(20) -> ABCD(13)

% Reaction 31 reversed 

32: ABCD(13) -> ABC(15) + D(20)