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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:22 UTC
Update Date2025-03-21 18:36:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111244
Frequency23.9
Structure
Chemical FormulaC5H6N4O3
Molecular Mass170.044
SMILESCn1c(=O)[nH]c(N)c(N=O)c1=O
InChI KeyGUDXLMQIDACJSU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • c-nitroso compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • organic nitroso compound
  • carbonic acid derivative
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound