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CHEBI:57287 - coenzyme A(4−)

ChEBI IDCHEBI:57287
ChEBI Namecoenzyme A(4−)
Stars
ASCII Namecoenzyme A(4-)
DefinitionTetraanion of coenzyme A.
Last Modified13 September 2018
DownloadsMolfile
FormulaC21H32N7O16P3S
Net Charge-4
Average Mass763.509
Monoisotopic Mass763.08610
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCS
InChIInChI=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
InChIKeyRGJOEKWQDUBAIZ-IBOSZNHHSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
S-nitroso-coenzyme A(4−) (CHEBI:145546) has functional parent coenzyme A(4−) (CHEBI:57287)
2-saturated acyl-CoA(4−) (CHEBI:142092) 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}
UniProt Name  Source
CoAUniProt
Registry NumbersSources
Beilstein:11604429Beilstein