Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:15:13 UTC
Update Date2025-03-21 20:51:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00378760
Frequency4.9
Structure
Chemical FormulaC3H4F2O2S
Molecular Mass141.99
SMILESO=C(O)C(F)(F)CS
InChI KeyPSTMRCBRPOTMNY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass alpha-halocarboxylic acids and derivatives
Direct Parent alpha-halocarboxylic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alkylthiols
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organosulfur compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • alpha-halocarboxylic acid
  • organosulfur compound
  • organohalogen compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • alkylthiol
  • organooxygen compound