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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:00:47 UTC
Update Date2025-03-25 00:32:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02063845
Frequency0.6
Structure
Chemical FormulaC6H9N3O
Molecular Mass139.0746
SMILESCc1nc(CN)[nH]c1C=O
InChI KeyXQXOVARYXMGYCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent 2,4,5-trisubstituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl-aldehydes
  • azacyclic compounds
  • carbonylimidazoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • aldehyde
  • 2,4,5-trisubstituted-imidazole
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • imidazole-4-carbonyl group
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound