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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:20:10 UTC
Update Date2025-03-24 20:01:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01106227
Frequency1.2
Structure
Chemical FormulaC4H7N5O
Molecular Mass141.0651
SMILESNc1ncnc(N)c1NO
InChI KeyJIJKSESORAPZGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidines and pyrimidine derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • n-organohydroxylamines
  • organic oxygen compounds
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • n-organohydroxylamine
  • pyrimidine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine