Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:35 UTC
Update Date2025-03-25 00:48:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168372
Frequency0.5
Structure
Chemical FormulaC8H14FNO3
Molecular Mass191.0958
SMILESCC(C)C(F)C(=O)NCCC(=O)O
InChI KeyFUGFLGCSUJFCQO-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
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • fatty amide
  • carboxamide group
  • organohalogen compound
  • n-acyl-amine
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound