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Record Information
HMDB Statusquantified
Creation Date2024-02-20 23:33:29 UTC
Update Date2025-03-21 17:56:07 UTC
HMDB IDHMDB0061739
Metabolite Identification
DeepMet IDDMID00000218
NamePerfluorononanoic acid
Frequency17012.0
Structure
Chemical FormulaC9HF17O2
Molecular Mass463.9705
SMILESO=C(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 KeyUZUFPBIDKMEQEQ-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
  • alkyl fluorides
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • halogenated fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • halogenated fatty acid
  • alpha-halocarboxylic acid or derivatives
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • organofluoride
  • fatty acid
  • perfluorooctanoic acid or derivatives
  • alpha-halocarboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organooxygen compound