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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:01 UTC
Update Date2025-03-25 00:54:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205837
Frequency0.5
Structure
Chemical FormulaC7H4F11NO2
Molecular Mass343.0066
SMILESNC(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyLODQJVKHKXZKIR-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
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • halogenated fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • alpha-halocarboxylic acid
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • medium-chain fatty acid
  • halogenated fatty acid
  • alkyl fluoride
  • organofluoride
  • beta amino acid or derivatives
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound