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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:10:12 UTC
Update Date2025-03-24 21:03:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01658444
Frequency0.8
Structure
Chemical FormulaC6H10N2O
Molecular Mass126.0793
SMILESCN1CC2NC(=O)CC21
InChI KeyJQHPNDBNOKYZAQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,4-diazepanes
Direct Parent 1,4-diazepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • azetidines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • 1,4-diazepane
  • amino acid or derivatives
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • tertiary amine
  • azacycle
  • tertiary aliphatic amine
  • carboxamide group
  • azetidine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound