OntologiesslmclassesCHEBI:74521   
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AcNADHImported
http://purl.obolibrary.org/obo/CHEBI_74521

A dinucleotide that is NADH with the amide group om the nictotinamide ring replaced with an acetyl group.

Defined bychebi
Related Synonyms
reduced 3-acetylpyridine adenine dinucleotide
class Information
charge

0

formula

C22H30N6O14P2

has_obo_namespace

chebi_ontology

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)/t12-,13?,15-,16-,17-,18-,21-,22?/m1/s1

inchikey

CIWXCGUGRDQCHH-CXMVDIQUSA-N

in_subset

3_STAR

mass

664.45290

monoisotopicmass

664.12952

smiles

CC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCC2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O

class Relations