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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:29:44 UTC
Update Date2025-03-21 18:41:17 UTC
HMDB IDHMDB0240664
Metabolite Identification
DeepMet IDDMID00133487
NameBenzoylcarnitine
Frequency18.9
Structure
Chemical FormulaC14H20NO4+
Molecular Mass266.1387
SMILESC[N+](C)(C)CC(CC(=O)O)OC(=O)c1ccccc1
InChI KeyAWUHAZDZHNWQAG-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amines
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • carbonyl group
  • carboxylic acid
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • benzoyl
  • benzoate ester
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound