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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:22:51 UTC
Update Date2025-03-24 22:02:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01973442
Frequency0.6
Structure
Chemical FormulaC6H10N2O
Molecular Mass126.0793
SMILESO=C1CC2CCC(N1)N2
InChI KeyJHIAKZKYBOUFDP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactams
Subclass caprolactams
Direct Parent caprolactams
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • azepanes
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • diazinanes
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrrolidines
  • secondary carboxylic acid amides
    • Substituents
  • caprolactam
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • amino acid or derivatives
  • secondary amine
  • carboxamide group
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • secondary carboxylic acid amide
  • 1,3-diazinane
  • organic oxide
  • azepane
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound
  • amine