Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:14:11 UTC
Update Date2025-03-24 20:40:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01524278
Frequency0.8
Structure
Chemical FormulaC3H4F2O2S
Molecular Mass141.99
SMILESO=C(CS)C(O)(F)F
InChI KeyBCOHKKHXGDDGDU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydroxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl fluorides
  • alkylthiols
  • alpha-haloketones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organosulfur compounds
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • organosulfur compound
  • alpha-hydroxy ketone
  • organohalogen compound
  • organic oxide
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • alkylthiol