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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:47 UTC
Update Date2025-03-21 18:35:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104926
Frequency25.8
Structure
Chemical FormulaC4H7N3
Molecular Mass97.064
SMILESCn1cnc(N)c1
InChI KeyJABBOSBXQIXTPB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent n-substituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • n-substituted imidazole