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Record Information
HMDB Statusquantified
Creation Date2024-02-20 23:33:48 UTC
Update Date2025-03-21 17:56:23 UTC
HMDB IDHMDB0059586
Metabolite Identification
DeepMet IDDMID00001001
NamePerfluorooctanesulfonic acid
Frequency5756.0
Structure
Chemical FormulaC8HF17O3S
Molecular Mass499.9375
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyYFSUTJLHUFNCNZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classalkyl halides
Subclass alkyl fluorides
Direct Parent perfluorooctane sulfonic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organosulfonic acids
  • sulfonyls
    • Substituents
  • aliphatic acyclic compound
  • perfluorooctane sulfonic acid or derivatives
  • organosulfonic acid or derivatives
  • organofluoride
  • organosulfonic acid
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative