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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:16 UTC
Update Date2025-03-25 01:01:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250017
Frequency0.5
Structure
Chemical FormulaC7H18NO2S+
Molecular Mass180.1053
SMILESC[N+](C)(C)C(CO)C(O)CS
InChI KeyTWDBSSBFIAEOOO-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
  • alkylthiols
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • organosulfur compounds
  • primary alcohols
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • 1,2-aminoalcohol
  • organosulfur compound
  • organic oxygen compound
  • choline
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • primary alcohol
  • amine
  • alkylthiol
  • organooxygen compound