CHEBI:57288 - acetyl-CoA(4−)

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ChEBI Name acetyl-CoA(4−)
ChEBI ID CHEBI:57288
ChEBI ASCII Name acetyl-CoA(4-)
Definition An acyl-CoA(4−) that is the tetraanion of acetyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H34N7O17P3S
Net Charge -4
Average Mass 805.53900
Monoisotopic Mass 805.094
InChI InChI=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)/p-4/t13-,16-,17-,18+,22-/m1/s1
InChIKey ZSLZBFCDCINBPY-ZSJPKINUSA-J
SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing acetyl-CoA(4−) (CHEBI:57288) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
acetyl-CoA(4−) (CHEBI:57288) has role human metabolite (CHEBI:77746)
acetyl-CoA(4−) (CHEBI:57288) is a acyl-CoA(4−) (CHEBI:58342)
acetyl-CoA(4−) (CHEBI:57288) is conjugate base of acetyl-CoA (CHEBI:15351)
Incoming acetyl-CoA (CHEBI:15351) is conjugate acid of acetyl-CoA(4−) (CHEBI:57288)
IUPAC Name
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
Synonyms Sources
AcCoA(4−) ChEBI
acetyl-CoA UniProt
acetyl-CoA tetraanion ChEBI
acetyl-coenzyme A(4−) ChEBI
Registry Number Type Source
8468140 Beilstein Registry Number Beilstein
Last Modified
21 January 2016