Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:48:45 UTC
Update Date2025-03-24 14:35:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00887409
Frequency1.6
Structure
Chemical FormulaC3H6F3NS
Molecular Mass145.0173
SMILESNCCSC(F)(F)F
InChI KeyPQTQMKOWDYNUNW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classalkyl halides
Subclass halomethanes
Direct Parent trihalomethanes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • trihalomethane
  • sulfenyl compound
  • alkyl fluoride
  • organofluoride
  • dialkylthioether
  • organosulfur compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound