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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:00 UTC
Update Date2025-03-25 00:50:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183048
Frequency0.5
Structure
Chemical FormulaC16H23N5O12S
Molecular Mass509.1064
SMILESO=S(=O)(O)OCC1OC(O)C(Nc2ncnc3c2ncn3C2OC(CO)C(O)C2O)C(O)C1O
InChI KeyNPUQEGSNCNQSKO-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
  • hemiacetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • secondary alkylarylamines
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • sulfuric acid monoester
  • monosaccharide
  • imidazopyrimidine
  • pyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • imidolactam
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • tetrahydrofuran
  • purine nucleoside
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • purine
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound
  • amine