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CHEBI:15351 - acetyl-CoA

ChEBI IDCHEBI:15351
ChEBI Nameacetyl-CoA
Stars
DefinitionAn acyl-CoA having acetyl as its S-acetyl component.
Secondary ChEBI IDsCHEBI:2408, CHEBI:13712, CHEBI:22192, CHEBI:40470, CHEBI:180918
Last Modified10 July 2025
SubmitterMarcus Ennis, MetaboLights
DownloadsMolfile

FormulaC23H38N7O17P3S
Net Charge0
Average Mass809.578
Monoisotopic Mass809.12577
SMILESCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
InChIKeyZSLZBFCDCINBPY-ZSJPKINUSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Aeromonas veronii (ncbitaxon:654) Whole Organism (NCIT:C13413) MetaboLights (MTBLS1182)
Roles Classification

ChEBI Ontology
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonyms  Source
Acetyl-CoAKEGG COMPOUND
Acetyl coenzyme AKEGG COMPOUND
AcCoAChEBI
S-acetyl-CoAChEBI
S-acetyl-coenzyme AChEBI
Manual XrefsDatabases
C00024KEGG COMPOUND
c0031UM-BBD
ACOPDBeChem
C00007259KNApSAcK
HMDB0001206HMDB
YMDB00312YMDB
ECMDB01206ECMDB
Acetyl-CoAWikipedia
Registry NumbersSources
Reaxys:78145Reaxys
CAS:72-89-9KEGG COMPOUND
CAS:72-89-9ChemIDplus
Citations