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 No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H36N7O17P3S Net Charge -4 Average Mass 831.57600 Monoisotopic Mass 831.11232 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