Chemical Compound

3-methylcrotonyl-CoA

3-methylcrotonyl-CoA chemical structure
Primary Record

3-methylcrotonyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
45266575
SMILES
CC(=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)C
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

  • 3-methylcrotonyl-CoA
  • beta-methylcrotonoyl-CoA
  • 3-methyl-2-butenoyl-CoA
  • 3-methylbut-2-enoyl-CoA
  • 3-methylbut-2-enoyl-CoA(4-)
  • 3-methyl-(2E)-butenoyl-CoA
  • CHEBI:57344
  • 3-methylbut-2-enoyl-CoA tetraanion
  • 3-methylbut-2-enoyl-coenzyme A(4-)
  • Q27124444
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate}