CHEBI:57396 - vinylacetyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 No supplier information found for this compound.
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