Chemical Compound

Vinylacetyl-CoA

CAS Registry Number 6247-61-6
Vinylacetyl-CoA chemical structure
Primary Record

Vinylacetyl-CoA

In stock
6,968 g
Purity
98.2 %
CAS
6247-61-6

Compound Identifiers & Properties

CAS
6247-61-6
PubChem CID
11966119
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC=C)O
Canonical SMILES
C=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

Names & Synonyms

  • Vinylacetyl-CoA
  • but-3-enoyl-CoA
  • 3-Butenoyl-CoA
  • Vinylacetyl-coenzyme A
  • coenzyme A, vinylacetyl-
  • RefChem:934046
  • SCHEMBL60678
  • orb3022302
  • CHEBI:15543
  • LMFA07050400
  • CID11966119
  • but-3-enoyl-CoA; (Acyl-CoA); [M+H]+;
  • C02331
  • Q27098091
  • 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)
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] but-3-enethioate
  • 6247-61-6