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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:51 UTC
Update Date2025-03-21 17:58:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00012823
Frequency352.8
Structure
Chemical FormulaC8H8N5O5P
Molecular Mass285.0263
SMILESNc1ncnc2c1ncn2C1OC2OP(=O)(O)OC21
InChI KeyBRNSCFDOJUHNIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazopyrimidines
Subclass purines and purine derivatives
Direct Parent purines and purine derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dioxaphospholanes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • n-substituted imidazoles
  • organic oxides
  • organic phosphoric acids and derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • Substituents
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • azole
  • n-substituted imidazole
  • azacycle
  • heteroaromatic compound
  • 1,3_dioxaphospholane
  • oxacycle
  • organic oxygen compound
  • oxetane
  • hydrocarbon derivative
  • primary amine
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • organooxygen compound