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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:03:40 UTC
Update Date2025-03-21 18:28:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00070913
Frequency42.4
Structure
Chemical FormulaC9H19N2O+
Molecular Mass171.1492
SMILESC[N+](C)(C)CCN1CCCC1=O
InChI KeyIDUZXXAMWYSCSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • tetraalkylammonium salts
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • quaternary ammonium salt
  • carboxamide group
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound