Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:41 UTC
Update Date2025-03-25 00:54:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205099
Frequency0.5
Structure
Chemical FormulaC8H2F17NO5S2
Molecular Mass578.9103
SMILESO=S(=O)(O)NS(=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 KeyXDAJNHHPYSNKMR-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 nitrogen compounds
  • organic oxides
  • organic sulfuric acids and derivatives
  • organofluorides
  • organosulfonic acids and derivatives
  • Substituents
  • aliphatic acyclic compound
  • perfluorooctane sulfonic acid or derivatives
  • organosulfonic acid or derivatives
  • organic sulfuric acid or derivatives
  • aminosulfonyl compound
  • organofluoride
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound