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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:08:55 UTC
Update Date2025-03-21 19:05:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00224916
Frequency9.6
Structure
Chemical FormulaC3H4N4O
Molecular Mass112.0385
SMILESNc1nc[nH]c1N=O
InChI KeyDHBHHTCCASSAHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidolactams
Subclass imidolactams
Direct Parent imidolactams
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • c-nitroso compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • organic nitroso compound
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • azole