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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:56:04 UTC
Update Date2025-03-25 01:38:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02469697
Frequency0.5
Structure
Chemical FormulaC6H9N3O
Molecular Mass139.0746
SMILESO=C1NC2C=NCCC2N1
InChI KeyRBDSRMIPDHOOKX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • imidazolidinones
  • imines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • imidazolidine
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • imine
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • imidazolidinone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound