Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:50:44 UTC
Update Date2025-03-21 18:02:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00040251
Frequency85.9
Structure
Chemical FormulaC6H14NO2+
Molecular Mass132.1019
SMILESC[N+](C)(C)CC(O)C=O
InChI KeyGUWWZPKAPVIQRW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent cholines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxyaldehydes
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • tetraalkylammonium salts
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • tetraalkylammonium salt
  • aldehyde
  • organic oxide
  • alpha-hydroxyaldehyde
  • organic oxygen compound
  • choline
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organooxygen compound