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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:50 UTC
Update Date2025-03-21 18:34:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102583
Frequency26.5
Structure
Chemical FormulaC8H18NO3+
Molecular Mass176.1281
SMILESC[N+](C)(C)C(CO)CCC(=O)O
InChI KeyLJDUXEIZCSOEEZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent cholines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • amines
  • carbonyl compounds
  • carboxylic acids
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • primary alcohols
  • short-chain hydroxy acids and derivatives
  • tetraalkylammonium salts
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • tetraalkylammonium salt
  • 1,2-aminoalcohol
  • fatty acid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • choline
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • primary alcohol
  • amine
  • organooxygen compound