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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:28 UTC
Update Date2025-03-25 00:47:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163516
Frequency0.5
Structure
Chemical FormulaC6H5F7O2S
Molecular Mass273.9898
SMILESO=C(O)C(F)(F)CSCC(F)(F)C(F)(F)F
InChI KeyKATCQZAJPUJZPF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass sulfur mustard compounds
Direct Parent sulfur mustard compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • sulfenyl compounds
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • alkyl fluoride
  • organofluoride
  • dialkylthioether
  • alpha-halocarboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • sulfur mustard
  • organooxygen compound