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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:43:26 UTC
Update Date2025-03-21 17:59:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00022972
Frequency172.0
Structure
Chemical FormulaC13H26NO2+
Molecular Mass228.1958
SMILESCCCCCC=CC(=O)OCC[N+](C)(C)C
InChI KeyAAXAGXVARBZQPN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent acyl cholines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • enoate ester
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • tetraalkylammonium salt
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • acyl choline
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organooxygen compound