Chemical Compound

isocaproyl-CoA

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isocaproyl-CoA chemical structure
Primary Record

isocaproyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
89600975
SMILES
CC(C)CCC(=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)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

  • isocaproyl-CoA
  • isohexanoyl-CoA
  • 4-methylpentanoyl-CoA
  • isocaproyl-coenzyme A
  • isohexanoyl-coenzyme A
  • RefChem:99916
  • 4-methylpentanoyl-coenzyme A
  • CHEBI:131951
  • SCHEMBL14992960
  • SCHEMBL30221076
  • C21400
  • Q27225318
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(4-methylpentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
  • 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-((3-((2-((4-methylpentanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-4-oxobutyl) dihydrogen diphosphate)