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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:25 UTC
Update Date2025-03-25 00:56:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220852
Frequency0.5
Structure
Chemical FormulaC5H8N2O
Molecular Mass112.0637
SMILESO=C1CC2CNC2N1
InChI KeyZFWACXRFQYLQIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,3-diazepanes
Direct Parent 1,3-diazepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • azetidines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • amino acid or derivatives
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • 1,3-diazepane
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • carboxamide group
  • azetidine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine