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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:56 UTC
Update Date2025-03-21 18:32:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00090628
Frequency31.0
Structure
Chemical FormulaC11H4F17NO3
Molecular Mass520.992
SMILESO=C(O)CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyHRTGRHQACULMKM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classalkyl halides
Subclass alkyl fluorides
Direct Parent perfluorooctanoic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyl glycines
  • alkyl fluorides
  • alpha amino acids
  • 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
  • fatty amide
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • n-acyl-alpha amino acid or derivatives
  • n-acyl-alpha-amino acid
  • organofluoride
  • perfluorooctanoic acid or derivatives
  • carboxamide group
  • n-acyl-amine
  • n-acylglycine
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound