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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:17 UTC
Update Date2025-03-25 01:01:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250055
Frequency0.5
Structure
Chemical FormulaC9H18NO3+
Molecular Mass188.1281
SMILESC[N+](C)(C)CCOC(=O)C=CCO
InChI KeyRMCLAVXWAGFCLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent acyl cholines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • primary alcohols
  • tetraalkylammonium salts
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • organopnictogen compound
  • organic cation
  • organic salt
  • primary alcohol
  • enoate ester
  • alcohol
  • tetraalkylammonium salt
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • acyl choline
  • hydrocarbon derivative
  • amine
  • organooxygen compound