(S)-2,3-diaminopropanoate(1+), needed for the new IUBMB reaction:
ATP + fumarate + (S)-2,3-diaminopropanoate = AMP + diphosphate + N3-fumaroyl-(S)-2,3-diaminopropanoate
Please also add x-ref to MetaCyc: L-23-DIAMINOPROPANOATE
I've created CHEBI:84374 which has the compound with the overall charge of +1 with both the amino groups protonated and a negatively charged carboxy group (the other one, 42164 only has the side-chain amino group protonated). However, according to our version of Marvin (6.1.5) the major species at pH 7.3. is actually the neutrally charged zwitterionic compound, CHEBI:57721. I don't know what species version 6.2.0 gives. This may affect balancing the reaction as the N-fumaroyl derivative will almost certainly have the alpha-amino group protonated. Anyway, both options are in there.
Cheers,
Steve
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Hi Kristian,
I've created CHEBI:84374 which has the compound with the overall charge of +1 with both the amino groups protonated and a negatively charged carboxy group (the other one, 42164 only has the side-chain amino group protonated). However, according to our version of Marvin (6.1.5) the major species at pH 7.3. is actually the neutrally charged zwitterionic compound, CHEBI:57721. I don't know what species version 6.2.0 gives. This may affect balancing the reaction as the N-fumaroyl derivative will almost certainly have the alpha-amino group protonated. Anyway, both options are in there.
Cheers,
Steve