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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:28 UTC
Update Date2025-03-25 00:53:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202324
Frequency0.5
Structure
Chemical FormulaC7H6F13NOS
Molecular Mass398.9963
SMILESC[SH](N)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyIAMCNJOVZCVBIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiols
Subclass alkylthiols
Direct Parent alkylthiols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • organofluorides
  • organosulfur compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl fluoride
  • organofluoride
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organohalogen compound
  • alkylthiol