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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:30 UTC
Update Date2025-03-25 00:49:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177402
Frequency0.5
Structure
Chemical FormulaC13H20N6O5
Molecular Mass340.1495
SMILESCNCC(O)C(O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI KeyQAISYMADKKMSJK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpurine nucleosides
Subclass purine nucleosides
Direct Parent purine nucleosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monosaccharides
  • n-substituted imidazoles
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • monosaccharide
  • imidazopyrimidine
  • pyrimidine
  • saccharide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • tetrahydrofuran
  • purine nucleoside
  • heteroaromatic compound
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • purine
  • organic nitrogen compound
  • amine
  • organooxygen compound