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coenzyme A(4−) (CHEBI:57287)

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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
See structure as:  Image  Applet
Save molfile Download Molfile
Formula Source
C21H32N7O16P3S ChEBI
Net Charge -4
Average Mass 763.50200
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 Source
Isolated from Homo sapiens (NCBI:9606) DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
10 March 2014

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