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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:39 UTC
Update Date2025-03-25 00:53:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202707
Frequency0.5
Structure
Chemical FormulaC9H16N2O
Molecular Mass168.1263
SMILESC=C(C)NCCN1CCCC1=O
InChI KeyIQTILEGAAWUXLK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • secondary aliphatic amine
  • carbonyl group
  • lactam
  • azacycle
  • n-alkylpyrrolidine
  • amino acid or derivatives
  • secondary amine
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine