EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:74521 - AcNADH

ChEBI IDCHEBI:74521
ChEBI NameAcNADH
Stars
DefinitionA dinucleotide that is NADH with the amide group om the nictotinamide ring replaced with an acetyl group.
Last Modified30 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC22H30N6O14P2
Net Charge0
Average Mass664.458
Monoisotopic Mass664.12952
SMILESCC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1
InChIInChI=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
InChIKeyCIWXCGUGRDQCHH-CXMVDIQUSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
AcNADH (CHEBI:74521) has functional parent NADH (CHEBI:16908)
AcNADH (CHEBI:74521) has role metabolite (CHEBI:25212)
AcNADH (CHEBI:74521) is a dinucleotide (CHEBI:47885)
Synonym  Source
reduced 3-acetylpyridine adenine dinucleotideChEBI