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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:21 UTC
Update Date2025-03-25 00:56:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218344
Frequency0.5
Structure
Chemical FormulaC12H18N4O7
Molecular Mass330.1175
SMILESCn1c(=O)[nH]c(=O)c2c1n(C)c(=O)n2CC(O)C(O)C(O)CO
InChI KeyIWKAIMATWIQICE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazopyrimidines
Subclass purines and purine derivatives
Direct Parent purinones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • lactams
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • pyrimidones
  • secondary alcohols
  • ureas
  • vinylogous amides
  • Substituents
  • lactam
  • pyrimidone
  • purinone
  • pyrimidine
  • urea
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • azole
  • n-substituted imidazole
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound