Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
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MetaCyc Compound: reduced 3-acetylpyridine adenine dinucleotide

Synonyms: AcNADH

Chemical Formula: C22H28N6O14P2

Molecular Weight: 662.44 Daltons

Monoisotopic Molecular Weight: 664.1295227236 Daltons

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

InChIKey: InChIKey=CIWXCGUGRDQCHH-UHFFFAOYSA-L

Unification Links: PubChem:45479481

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

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


References

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


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Thu Dec 25, 2014, biocyc13.