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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:54 UTC
Update Date2025-03-21 18:32:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00090522
Frequency31.1
Structure
Chemical FormulaC12H10F17NO2S
Molecular Mass555.0161
SMILESCCN(CC)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 KeyYMACLHHWYOVAOI-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
  • aminosulfonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic sulfonamides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • aliphatic acyclic compound
  • perfluorooctane sulfonic acid or derivatives
  • organosulfonic acid or derivatives
  • aminosulfonyl compound
  • organofluoride
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic sulfonic acid amide