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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:14:10 UTC
Update Date2025-03-24 22:45:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01238043
Frequency1.1
Structure
Chemical FormulaC5H7N3O
Molecular Mass125.0589
SMILESO=C1CC2NCN=C2N1
InChI KeyXJXCKBZQGLIICD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • imidazolines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • secondary aliphatic amine
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • secondary amine
  • organic oxygen compound
  • imidazoline
  • 3-imidazoline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine