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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:10 UTC
Update Date2025-03-21 18:41:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136710
Frequency18.3
Structure
Chemical FormulaC6F14O2S
Molecular Mass401.9395
SMILESO=S(=O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyIDYPUEZBQGEGKQ-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
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • sulfones
    • Substituents
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • sulfur mustard
  • sulfone