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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:55 UTC
Update Date2025-03-25 01:01:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246955
Frequency0.5
Structure
Chemical FormulaC9H21N2O2+
Molecular Mass189.1598
SMILESCCC(=O)NCC(O)C[N+](C)(C)C
InChI KeyADFCIMLCPZMWRZ-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 and derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetraalkylammonium salts
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • tetraalkylammonium salt
  • 1,2-aminoalcohol
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • choline
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organooxygen compound