CHEBI:57396 - vinylacetyl-CoA(4−)

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ChEBI Name vinylacetyl-CoA(4−)
ChEBI ID CHEBI:57396
ChEBI ASCII Name vinylacetyl-CoA(4-)
Definition Tetraanion of vinylacetyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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/h4,12-14,18-20,24,35-36H,1,5-11H2,2-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,18-,19-,20+,24-/m1/s1
InChIKey UATIGEHITDTAGF-CITAKDKDSA-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)NCCSC(=O)CC=C
ChEBI Ontology
Outgoing vinylacetyl-CoA(4−) (CHEBI:57396) is a acyl-CoA(4−) (CHEBI:58342)
vinylacetyl-CoA(4−) (CHEBI:57396) is conjugate base of vinylacetyl-CoA (CHEBI:15543)
Incoming vinylacetyl-CoA (CHEBI:15543) is conjugate acid of vinylacetyl-CoA(4−) (CHEBI:57396)
IUPAC Name
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
Synonym Source
vinylacetyl-CoA UniProt
Last Modified
01 July 2015