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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:14 UTC
Update Date2025-03-25 00:47:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160702
Frequency0.5
Structure
Chemical FormulaC13H17N5O8S
Molecular Mass403.0798
SMILESNc1ncnc2c1ncn2C1OC(COS(=O)(=O)O)C2OC(CO)C(O)C21
InChI KeyLDQHQCXGBMKFJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpurine nucleosides
Subclass purine 2'-deoxyribonucleosides
Direct Parent purine 2'-deoxyribonucleosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl sulfates
  • azacyclic compounds
  • dialkyl ethers
  • furofurans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • sulfuric acid monoester
  • ether
  • monosaccharide
  • imidazopyrimidine
  • dialkyl ether
  • pyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • furofuran
  • imidazole
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • imidolactam
  • purine 2'-deoxyribonucleoside
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • primary amine
  • purine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound