Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:00:07 UTC
Update Date2025-03-24 14:09:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00770745
Frequency2.0
Structure
Chemical FormulaC3H6FNO3
Molecular Mass123.0332
SMILESNCC(O)(F)C(=O)O
InChI KeyRODHKAPKSUCCBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl fluorides
  • alpha hydroxy acids and derivatives
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • alpha-halocarboxylic acid or derivatives
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • alpha-hydroxy acid
  • hydroxy acid
  • alpha-halocarboxylic acid
  • organohalogen compound
  • beta amino acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound