BENZOATE

Metabolite BENZOATE

• smiles:
  • C(C1(C=CC=CC=1))([O-])=O
• molecular weight:
  • 121.115
• inchi key:
  • InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M
• common name:
  • benzoate
• Synonym(s):
  • benzoic acid
  • benzenecarboxylic acid
  • phenylformic acid

Reaction(s) known to produce the compound

• RXN-9336

Reaction(s) of unknown directionality

• BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN

External links

• METABOLIGHTS : MTBLC16150
• CAS : 65-85-0
• HMDB : HMDB01870
• CHEMSPIDER:
  • 237
• CHEBI:
  • 16150
• LIGAND-CPD:
  • C00180
• PUBCHEM:
  • 242

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