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reactions r_0533, r_0534, r_0535 appear not balanced #358

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charamon opened this issue Nov 3, 2023 · 2 comments · Fixed by #361
Closed

reactions r_0533, r_0534, r_0535 appear not balanced #358

charamon opened this issue Nov 3, 2023 · 2 comments · Fixed by #361

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@charamon
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charamon commented Nov 3, 2023

Hi !

I thnk these reactions are not balanced : one should remove the H+ in the right hand side of the reactions r_0533, r_0534 and r_0535.

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@edkerk
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edkerk commented Nov 7, 2023

Below are the chemical formulas and charges of metabolites involved in r_0534 (hexokinase):

Metabolite Formula Charge
ADP[c] C10H12N5O10P2 -3
ATP[c] C10H12N5O13P3 -4
D-glucose[c] C6H12O6 0
D-glucose 6-phosphate[c] C6H11O9P -2
H+[c] H 1

This information can be gathered via e.g.

metIdx = getIndexes(model,{'ADP[c]','ATP[c]','D-glucose[c]','D-glucose 6-phosphate[c]','H+[c]'},'metcomps');
model.metFormulas(metIdx)
model.metCharges(metIdx)

Note that the metabolites are protonated to physiological pH of 7, as is also done in e.g. MetaCyc (in contrast to KEGG). The same holds true for r_0533 and r_0535.

@edkerk edkerk changed the title Reactions r_0533, r_0534, r_0535 not balanced reactions r_0533, r_0534, r_0535 appear not balanced Nov 7, 2023
@IndrekM80
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Reaction r_4196 is missing NAD on the other side altogether :)

NADH[erm] + 2 Ferricytochrome b5[erm] <=> H+[erm] + 2 Ferrocytochrome b5[erm]

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3 participants