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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:26 UTC
Update Date2025-03-21 18:36:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111420
Frequency23.9
Structure
Chemical FormulaC6H12NO2+
Molecular Mass130.0863
SMILESC[N+]1(C)CC(O)CC1=O
InChI KeyYMSSGJHMXJACNM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • 2-pyrrolidone
  • carbonyl group
  • azacycle
  • n-alkylpyrrolidine
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound