CHEBI:57287 - coenzyme A(4−)

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ChEBI Name coenzyme A(4−)
ChEBI ID CHEBI:57287
ChEBI ASCII Name coenzyme A(4-)
Definition Tetraanion of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C21H32N7O16P3S
Net Charge -4
Average Mass 763.50200
Monoisotopic Mass 763.08610
InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/p-4/t11-,14-,15-,16+,20-/m1/s1
InChIKey RGJOEKWQDUBAIZ-IBOSZNHHSA-J
SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCS
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) 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 coenzyme A(4−) (CHEBI:57287) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
coenzyme A(4−) (CHEBI:57287) has role human metabolite (CHEBI:77746)
coenzyme A(4−) (CHEBI:57287) is a organophosphate oxoanion (CHEBI:58945)
coenzyme A(4−) (CHEBI:57287) is conjugate base of coenzyme A (CHEBI:15346)
Incoming 2-saturated acyl-CoA(4−) (CHEBI:142092) has functional parent coenzyme A(4−) (CHEBI:57287)
S-nitroso-coenzyme A(4−) (CHEBI:145546) has functional parent coenzyme A(4−) (CHEBI:57287)
sulfinamide-coenzyme A(4−) (CHEBI:145548) has functional parent coenzyme A(4−) (CHEBI:57287)
coenzyme A (CHEBI:15346) is conjugate acid of coenzyme A(4−) (CHEBI:57287)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate}
Synonym Source
CoA UniProt
Registry Number Type Source
11604429 Beilstein Registry Number Beilstein
Last Modified
13 September 2018