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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:24 UTC
Update Date2025-03-21 18:03:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00044310
Frequency76.4
Structure
Chemical FormulaC10H13N5O8S
Molecular Mass363.0485
SMILESNc1nc2c(ncn2C2OC(CO)C(OS(=O)(=O)O)C2O)c(=O)[nH]1
InChI KeySGKOFYWTTPGJLS-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
  • alkyl sulfates
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hypoxanthines
  • imidazoles
  • lactams
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • purines and purine derivatives
  • pyrimidones
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • sulfuric acid monoester
  • lactam
  • monosaccharide
  • pyrimidone
  • imidazopyrimidine
  • pyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • vinylogous amide
  • organic sulfuric acid or derivatives
  • azacycle
  • tetrahydrofuran
  • purine nucleoside
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hypoxanthine
  • sulfate-ester
  • hydrocarbon derivative
  • primary amine
  • purine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound