MetaCyc Compound: reduced 3-acetylpyridine adenine dinucleotide

Synonyms: AcNADH

Chemical Formula: C22H28N6O14P2

Molecular Weight: 662.44 Daltons

Monoisotopic Molecular Weight: 664.1295227236 Daltons

reduced 3-acetylpyridine adenine dinucleotide compound structure

SMILES: CC(C1(=CN(C=CC1)C5(C(O)C(O)C(COP(=O)([O-])OP(=O)(OCC2(C(O)C(O)C(O2)N4(C3(C(=C(N)N=CN=3)N=C4))))[O-])O5)))=O

InChI: InChI=1S/C22H30N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2,4-5,8-9,12-13,15-18,21-22,30-33H,3,6-7H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25)/p-2


Unification Links: PubChem:45479481

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -287.25687 Inferred by computational analysis [Latendresse13]

This compound has been characterized as an alternative substrate of the following enzymes: pyridine nucleotide transhydrogenase

Created 24-Jul-2009 by Kothari A , SRI International


Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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