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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:01:30 UTC
Update Date2025-03-25 01:16:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02342839
Frequency0.5
Structure
Chemical FormulaC7H11NO
Molecular Mass125.0841
SMILESCN1CC2CCC2C1=O
InChI KeyXYDLCDQGLCHZME-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactams
Subclass caprolactams
Direct Parent caprolactams
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azepanes
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • caprolactam
  • carbonyl group
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • azepane
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound