Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:44:53 UTC
Update Date2025-03-25 01:33:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02443686
Frequency0.5
Structure
Chemical FormulaC4H6F2O3
Molecular Mass140.0285
SMILESCOC(=O)C(F)(F)CO
InChI KeyGLHQICGWXARGOZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl fluorides
  • alpha-halocarboxylic acid derivatives
  • carbonyl compounds
  • fluorohydrins
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • Substituents
  • alcohol
  • alpha-halocarboxylic acid or derivatives
  • aliphatic acyclic compound
  • carbonyl group
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • fluorohydrin
  • carboxylic acid derivative
  • organohalogen compound
  • alpha-halocarboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound