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CHEBI:15543 - vinylacetyl-CoA

ChEBI IDCHEBI:15543
ChEBI Namevinylacetyl-CoA
Stars
DefinitionThe S-vinylacetyl derivative of coenzyme A.
Secondary ChEBI IDsCHEBI:9991, CHEBI:15311, CHEBI:27294
Last Modified3 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H40N7O17P3S
Net Charge0
Average Mass835.616
Monoisotopic Mass835.14142
SMILESC=CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeyUATIGEHITDTAGF-CITAKDKDSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
Vinylacetyl-CoAKEGG COMPOUND
3-Butenoyl-CoAKEGG COMPOUND
but-3-enoyl-CoAChEBI
But-3-enoyl-CoAKEGG COMPOUND
Manual XrefsDatabases
C02331KEGG COMPOUND
C02331KEGG COMPOUND