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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:39 UTC
Update Date2025-03-25 00:54:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207297
Frequency0.5
Structure
Chemical FormulaC14H21N5O9
Molecular Mass403.1339
SMILESNc1nc2c(c(=O)[nH]1)n(C1OC(CO)C(O)C1O)c(=O)n2CC(O)C(O)CO
InChI KeyYKKVRYIDKIRMFV-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hypoxanthines
  • imidazoles
  • lactams
  • monosaccharides
  • n-substituted imidazoles
  • nucleoside and nucleotide analogues
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • ureas
  • vinylogous amides
    • Substituents
  • lactam
  • monosaccharide
  • pyrimidone
  • imidazopyrimidine
  • purinone
  • pyrimidine
  • urea
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • purine nucleoside
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hypoxanthine
  • hydrocarbon derivative
  • purine
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound