BENZOYLCOA

Metabolite BENZOYLCOA

• smiles:
  • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
• molecular weight:
  • 867.61
• inchi key:
  • InChIKey=VEVJTUNLALKRNO-TYHXJLICSA-J
• common name:
  • benzoyl-CoA
• Synonym(s):
  • S-benzoate coenzyme A
  • benzoyl-S-CoA

Reaction(s) known to produce the compound

• RXN-2006

External links

• CHEBI:
  • 57369
• CAS : 102185-37-5
• PUBCHEM:
  • 45266596
• LIGAND-CPD:
  • C00512
• HMDB : HMDB02252

Property "Smiles" (as page type) with input value "CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.