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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:13 UTC
Update Date2025-03-25 01:01:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249903
Frequency0.5
Structure
Chemical FormulaC7H12F3NOS2
Molecular Mass247.0312
SMILESCS(=O)CCCCN=C(S)C(F)(F)F
InChI KeyAGGGDDNICCHILG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfoxides
Subclass sulfoxides
Direct Parent sulfoxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alkylthiols
  • hydrocarbon derivatives
  • imidothioic acids and derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfinyl compounds
    • Substituents
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • organic 1,3-dipolar compound
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidothioic acid or derivatives
  • alkylthiol