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Record Information
HMDB Statusquantified
Creation Date2024-02-20 23:40:24 UTC
Update Date2025-03-21 17:58:43 UTC
HMDB IDHMDB0031230
Metabolite Identification
DeepMet IDDMID00016250
Name2-Ethylhexanoic acid
Frequency263.2
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCCCCC(CC)C(=O)O
InChI KeyOBETXYAYXDNJHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • branched fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organooxygen compound