Hmdb loader

Showing information for DMID02193242

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:30 UTC
Update Date2025-03-25 00:52:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193242
Frequency0.5
Structure
Chemical FormulaC8H13FO3
Molecular Mass176.0849
SMILESCCCCCC(O)=C(F)C(=O)O
InChI KeyYHXPPGSUUOPAMY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • fluoroalkenes
  • halogenated fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • unsaturated fatty acids
  • vinyl fluorides
  • vinylogous acids
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • alpha-halocarboxylic acid
  • vinyl fluoride
  • carboxylic acid derivative
  • organohalogen compound
  • medium-chain hydroxy acid
  • unsaturated fatty acid
  • organic oxide
  • medium-chain fatty acid
  • hydroxy fatty acid
  • fluoroalkene
  • halogenated fatty acid
  • organofluoride
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • vinyl halide
  • haloalkene
  • hydrocarbon derivative
  • organooxygen compound