ISOVALERYL-COA

Metabolite ISOVALERYL-COA

• smiles:
  • CC(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C
• molecular weight:
  • 847.62
• inchi key:
  • InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J
• common name:
  • isovaleryl-CoA
• Synonym(s):
  • 3-methylbutyryl-CoA
  • 3-methylbutanoyl-CoA
  • isovaleryl-coenzyme A
  • iso-valeryl-CoA

Reaction(s) known to produce the compound

• 2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN

Reaction(s) of unknown directionality

• RXN-14264
• RXN-7825

External links

• METABOLIGHTS : MTBLC57345
• CAS : 6244-91-3
• HMDB : HMDB01113
• CHEBI:
  • 57345
• LIGAND-CPD:
  • C02939
• PUBCHEM:
  • 45266576

Property "Smiles" (as page type) with input value "CC(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.