Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:43:49 UTC
Update Date2025-03-25 01:09:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02301384
Frequency0.5
Structure
Chemical FormulaC4H7FO3
Molecular Mass122.0379
SMILESCC(O)(CO)C(=O)F
InChI KeyPQSVNNLLZIMLCT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • acyl fluorides
  • carbonyl compounds
  • fluorohydrins
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • halohydrin
  • organofluoride
  • acyl fluoride
  • fluorohydrin
  • organohalogen compound
  • acyl halide
  • tertiary alcohol
  • organic oxide
  • hydrocarbon derivative
  • 1,2-diol