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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:45 UTC
Update Date2025-03-25 00:50:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182532
Frequency0.5
Structure
Chemical FormulaC4HF9O5S2
Molecular Mass363.9122
SMILESO=S(=O)(O)C(F)(F)C(F)(F)S(=O)(=O)C(F)(F)C(F)(F)F
InChI KeyCTFLDTWRUGCCNX-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
  • organosulfonic acids
  • sulfones
    • Substituents
  • aliphatic acyclic compound
  • organosulfonic acid or derivatives
  • alkyl fluoride
  • organofluoride
  • organosulfonic acid
  • organohalogen compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • alkyl halide
  • hydrocarbon derivative
  • sulfur mustard
  • sulfone