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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:47 UTC
Update Date2025-03-25 00:50:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180313
Frequency0.5
Structure
Chemical FormulaC13H26NO8+
Molecular Mass324.1653
SMILESC[N+](C)(C)CCOC(=O)COC1OC(CO)C(O)C(O)C1O
InChI KeyGKRZICGHURKTKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent acyl cholines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • amines
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • organic cation
  • oxane
  • organic salt
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • tetraalkylammonium salt
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • acyl choline
  • hydrocarbon derivative
  • amine
  • organooxygen compound