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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:48 UTC
Update Date2025-03-25 00:55:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210038
Frequency0.5
Structure
Chemical FormulaC6H10F3NOS
Molecular Mass201.0435
SMILESCC(SCCN)C(=O)C(F)(F)F
InChI KeyHBOJUESKNCXNJM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-haloketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • alkyl fluoride
  • organofluoride
  • dialkylthioether
  • organosulfur compound
  • organohalogen compound
  • organic oxide
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound