17984 and 50998, problems for Rhea

[muthuvenkat]

Hi,

I have a problem with 17984 acyl-CoA C22H35N7O17P3SR 50998 trans-2,3-didehydroacyl-CoAs C24H37N7O17P3SR

They appear together in two reactions: Rhea: 14473 17984 + NADP+ = 50998 + NADPH + H+ Rhea: 17613 17984 + O2 = 50998 + H2O2

With the current formulas the reactions cannot become balanced, as there is a built-in imbalance (C2H4).

What should we do?? i.e. what can you do?? The formulas are correct and logic as is according to ChEBI policy, but unfortunately not for Rhea use.

/Kristian

Reported by: axelsen

[muthuvenkat]

Hi,

Further problems with 17984: 17984 + AH2 + O2 = 50974 or 50975 + A + 2 H2O Rhea: 25852 and 25856.

/Kristian

Original comment by: axelsen

[muthuvenkat]

Hi Kristian

Probably the term acyl-CoA is too generic for the purposes of this reaction (as, for instance, 'acyl' includes benzoyl, naphthoyl, etc.). It may be more appropriate in the present case to refer to 'fatty-acyl-CoA' reacting to form '2,3-didehydro-fatty-acyl-CoA' with formulae C24H39N7O17P3SR and C24H37N7O17P3SR respectively.

Fatty-acyl-CoA is present in ChEBI (unchecked) as CHEBI:37554. It used to be in KEGG as C06709 but this no longer exists.

If you think this solution OK, then I will check 37554 and create an entry for the didehydro case. Let me know your thoughts on this?

For your followup comment regarding 25852 and 25856 (acyl-CoA forming 11,12- and 12,13-didehydro-acyl CoAs respectively), Kirill and I are both stuck. We'll try to come up with a solution but need more time to think about it. Do you have any suggestions?

Cheers

Marcus

Original comment by: mennis

[muthuvenkat]

Hi Marcus,

No, unfortunately I cannot see an elegant solution that will work in all cases.

/Kristian

Original comment by: axelsen