Chemical Compound

isovaleryl-CoA

CAS Registry Number 6244-91-3
isovaleryl-CoA chemical structure
Primary Record

isovaleryl-CoA

In stock
5,633 g
Purity
98.8 %
CAS
6244-91-3

Compound Identifiers & Properties

CAS
6244-91-3
PubChem CID
45266576
SMILES
CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O
Canonical SMILES
CC(C)CC(=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

  • isovaleryl-CoA
  • iso-valeryl-CoA
  • 3-methylbutanoyl-CoA
  • isovaleryl-CoA(4-)
  • 3-methylbutyryl-CoA
  • isovaleryl-coenzyme A
  • isopentanoyl-CoA(4-)
  • isovaleryl-CoA tetraanion
  • isovaleryl-coenzyme A(4-)
  • 3-methylbutanoyl-CoA(4-)
  • isopentanoyl-coenzyme A(4-)
  • CHEBI:57345
  • Q27124445
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] diphosphate}
  • 6244-91-3