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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:22 UTC
Update Date2025-03-25 00:55:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213800
Frequency0.5
Structure
Chemical FormulaC21H17F19N2O3S
Molecular Mass738.0656
SMILESCCN(CC(=O)Nc1c(C)cccc1C)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)C(F)(F)F
InChI KeyRWUVQZHWFINZOC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • aminosulfonyl compounds
  • anilides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organic sulfonamides
  • organofluorides
  • organopnictogen compounds
  • organosulfonamides
  • secondary carboxylic acid amides
  • m-xylenes
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • carbonyl group
  • n-arylamide
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • xylene
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alkyl halide
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • m-xylene
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic sulfonic acid amide
  • organooxygen compound