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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:27 UTC
Update Date2025-03-25 00:47:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158991
Frequency0.5
Structure
Chemical FormulaC12H14F3N5O4S
Molecular Mass381.0719
SMILESOCC1OC(n2nc(SCCC(F)(F)F)nc3ncnc2-3)C(O)C1O
InChI KeyBTRHKPCZLDKZOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2,4-triazines
  • alkyl fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monosaccharides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • sulfenyl compounds
  • tetrahydrofurans
    • Substituents
  • monosaccharide
  • alkylarylthioether
  • organohalogen compound
  • aryl thioether
  • saccharide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • alcohol
  • sulfenyl compound
  • azacycle
  • tetrahydrofuran
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • triazine
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,2,4-triazine
  • organooxygen compound