Chemical Compound

2-Methylhexanoyl-CoA

2-Methylhexanoyl-CoA chemical structure
Primary Record

2-Methylhexanoyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
9543276
SMILES
CCCCC(C)C(=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
CCCCC(C)C(=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

  • 2-Methylhexanoyl-CoA
  • alpha-methylcaproyl-CoA
  • 2-methylcaproyl-CoA
  • 2-methylcaproyl-Coenzyme A
  • 2-Methylhexanoyl-CoEnzyme A
  • alpha-methylcaproyl-Coenzyme A
  • SCHEMBL3194348
  • CHEBI:90224
  • c0837
  • CID9543276
  • 2-Methylhexanoyl-CoA; (Acyl-CoA); [M+H]+;
  • Q27162410
  • 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] 2-methylhexanethioate
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}