CHEBI:15543 - vinylacetyl-CoA

Main ChEBI Ontology Automatic Xrefs
ChEBI Name vinylacetyl-CoA
ChEBI ID CHEBI:15543
Definition The S-vinylacetyl derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9991, CHEBI:15311, CHEBI:27294
Supplier Information
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Formula C25H40N7O17P3S
Net Charge 0
Average Mass 835.60936
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)/t14-,18-,19-,20+,24-/m1/s1
InChIKey UATIGEHITDTAGF-CITAKDKDSA-N
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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing vinylacetyl-CoA (CHEBI:15543) has functional parent coenzyme A (CHEBI:15346)
vinylacetyl-CoA (CHEBI:15543) is a butenoyl-CoA (CHEBI:22961)
vinylacetyl-CoA (CHEBI:15543) is conjugate acid of vinylacetyl-CoA(4−) (CHEBI:57396)
Incoming vinylacetyl-CoA(4−) (CHEBI:57396) is conjugate base of vinylacetyl-CoA (CHEBI:15543)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonyms Sources
3-Butenoyl-CoA KEGG COMPOUND
But-3-enoyl-CoA KEGG COMPOUND
but-3-enoyl-CoA ChEBI
Vinylacetyl-CoA KEGG COMPOUND
Database Link Database
C02331 KEGG COMPOUND
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Last Modified
04 August 2014