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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:29:29 UTC
Update Date2025-03-24 20:46:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01561310
Frequency0.8
Structure
Chemical FormulaC6H12NO2+
Molecular Mass130.0863
SMILESC[N+]1(C)CC1CC(=O)O
InChI KeyYIBNEXLJMRAWGP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • aziridines
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • tetraalkylammonium salt
  • azacycle
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • aziridine
  • organoheterocyclic compound
  • organooxygen compound