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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:09 UTC
Update Date2025-03-21 18:01:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00031684
Frequency197.4
Structure
Chemical FormulaC13H15F3N4O5S
Molecular Mass396.0715
SMILESOCC1OC(n2cnc3c(O)nc(SCCC(F)(F)F)nc32)C(O)C1O
InChI KeyFTNAGPSQFMBIAY-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 fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyrimidines
  • imidazoles
  • monosaccharides
  • n-substituted imidazoles
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • purines and purine derivatives
  • secondary alcohols
  • sulfenyl compounds
  • tetrahydrofurans
    • Substituents
  • monosaccharide
  • hydroxypyrimidine
  • imidazopyrimidine
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • aryl thioether
  • pyrimidine
  • saccharide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • sulfenyl compound
  • azacycle
  • tetrahydrofuran
  • alkyl fluoride
  • organofluoride
  • purine nucleoside
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • purine
  • organic nitrogen compound
  • organooxygen compound