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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:47 UTC
Update Date2025-03-25 00:49:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175674
Frequency0.5
Structure
Chemical FormulaC12H22N2O
Molecular Mass210.1732
SMILESCC(C)CC1CC2CCC(C(=O)N1)N2C
InChI KeyOKPKTULYAMNJOJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,4-diazepanes
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • carbonyl group
  • lactam
  • 1,4-diazepane
  • diazepane
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • alpha-amino acid amide
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound