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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:01 UTC
Update Date2025-03-25 00:49:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171626
Frequency0.5
Structure
Chemical FormulaC12H9F17N2O4S
Molecular Mass600.0012
SMILESCN(CC(N)C(=O)O)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 KeyZQUNSMWOIGZYRR-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
  • alpha amino acids
  • aminosulfonyl compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic sulfonamides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • aliphatic acyclic compound
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • perfluorooctane sulfonic acid or derivatives
  • aminosulfonyl compound
  • organofluoride
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic sulfonic acid amide
  • organooxygen compound