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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:20 UTC
Update Date2025-03-21 18:00:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00029765
Frequency125.4
Structure
Chemical FormulaC10H7F12NO6S
Molecular Mass496.9802
SMILESCN(CC(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O
InChI KeyBGSNTNZBZWOEFU-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 aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-halocarboxylic acids
  • aminosulfonyl compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • halogenated fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • organic oxides
  • organic sulfonamides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • fatty acyl
  • aliphatic acyclic compound
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • alpha-halocarboxylic acid
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alkyl halide
  • medium-chain fatty acid
  • halogenated fatty acid
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic sulfonic acid amide
  • organooxygen compound