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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:31 UTC
Update Date2025-03-25 00:51:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186515
Frequency0.5
Structure
Chemical FormulaC4H8FNO3
Molecular Mass137.0488
SMILESNCC(F)C(O)C(=O)O
InChI KeyRZLGCNDVKJAIJK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent gamma amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • fluorohydrins
  • halogenated fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • gamma amino acid or derivatives
  • alpha-hydroxy acid
  • monosaccharide
  • fatty acid
  • fluorohydrin
  • organohalogen compound
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydroxy fatty acid
  • halogenated fatty acid
  • alcohol
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • hydroxy acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound