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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:16 UTC
Update Date2025-03-25 00:47:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160775
Frequency0.5
Structure
Chemical FormulaC5H6N5O4P
Molecular Mass231.0157
SMILESNc1nc(OP(=O)(O)O)c2[nH]cnc2n1
InChI KeyWUUKNIDTCZSQNB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphoric acids and derivatives
Subclass phosphate esters
Direct Parent aryl phosphomonoesters
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • Substituents
  • azacycle
  • heteroaromatic compound
  • imidazopyrimidine
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • aryl phosphomonoester
  • primary amine
  • purine
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound
  • organooxygen compound
  • azole