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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:21 UTC
Update Date2025-03-25 00:59:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236384
Frequency0.5
Structure
Chemical FormulaC9H20NO5+
Molecular Mass222.1336
SMILESC[N+](C)(C)C(CO)C(O)C(O)C(O)C=O
InChI KeyNLGCCFFNQBJPDX-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
  • 1,2-aminoalcohols
  • 1,3-aminoalcohols
  • alpha-hydroxyaldehydes
  • amines
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • monosaccharides
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • carbonyl group
  • monosaccharide
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • organopnictogen compound
  • organic cation
  • organic salt
  • primary alcohol
  • alcohol
  • 1,3-aminoalcohol
  • tetraalkylammonium salt
  • 1,2-aminoalcohol
  • aldehyde
  • organic oxygen compound
  • choline
  • secondary alcohol
  • hydrocarbon derivative
  • amine
  • organooxygen compound