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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:36 UTC
Update Date2025-03-21 18:40:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130883
Frequency19.4
Structure
Chemical FormulaC21H38NO4+
Molecular Mass368.2795
SMILESCCCCCCCCC=CCC=CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI KeyGFULOMBLMQXANC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent acyl carnitines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • short-chain hydroxy acids and derivatives
  • tetraalkylammonium salts
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • enoate ester
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • acyl-carnitine
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound