Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:14 UTC
Update Date2025-03-21 18:04:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00053299
Frequency60.7
Structure
Chemical FormulaC4H5F3O3
Molecular Mass158.0191
SMILESCC(O)(C(=O)O)C(F)(F)F
InChI KeyCTGJACFEVDCYMC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass alpha hydroxy acids and derivatives
Direct Parent alpha hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acids
  • fluorohydrins
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • tertiary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • alpha-hydroxy acid
  • fluorohydrin
  • carboxylic acid derivative
  • organohalogen compound
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound