CHEBI:57332 - crotonoyl-CoA(4−)

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ChEBI Name crotonoyl-CoA(4−)
ChEBI ID CHEBI:57332
ChEBI ASCII Name crotonoyl-CoA(4-)
Definition Tetraanion of crotonoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H36N7O17P3S
Net Charge -4
Average Mass 831.57600
Monoisotopic Mass 831.110
InChI InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/b5-4+/t14-,18-,19-,20+,24-/m1/s1
InChIKey KFWWCMJSYSSPSK-PAXLJYGASA-J
SMILES C\C=C\C(=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
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing crotonoyl-CoA(4−) (CHEBI:57332) has role human metabolite (CHEBI:77746)
crotonoyl-CoA(4−) (CHEBI:57332) is a acyl-CoA(4−) (CHEBI:58342)
crotonoyl-CoA(4−) (CHEBI:57332) is conjugate base of crotonoyl-CoA (CHEBI:15473)
Incoming crotonoyl-CoA (CHEBI:15473) is conjugate acid of crotonoyl-CoA(4−) (CHEBI:57332)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-but-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(2E)-butenoyl-CoA UniProt
(E)-but-2-enoyl-CoA(4−) ChEBI
Last Modified
16 February 2015