Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:48:17 UTC
Update Date2025-03-25 01:34:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02451608
Frequency0.5
Structure
Chemical FormulaC3H3F2NO3
Molecular Mass139.0081
SMILESNC(=O)C(F)(F)C(=O)O
InChI KeyFUMUYQOLZRPWPQ-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • alpha-halocarboxylic acid
  • carboxamide group
  • organohalogen compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound