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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:05 UTC
Update Date2025-03-25 00:46:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153695
Frequency0.5
Structure
Chemical FormulaC9H5F13O4S
Molecular Mass455.9701
SMILESCS(=O)(=O)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O
InChI KeyNXEJYTMEBUMUHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • halogenated fatty acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • sulfones
    • Substituents
  • halogenated fatty acid
  • alpha-halocarboxylic acid or derivatives
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • alpha-halocarboxylic acid
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organooxygen compound
  • sulfone