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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:46 UTC
Update Date2025-03-21 18:39:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126500
Frequency20.2
Structure
Chemical FormulaC9H14O4
Molecular Mass186.0892
SMILESCCCCC=CC(C(=O)O)C(=O)O
InChI KeyYHZCOJYVEVXSGK-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
  • 1,3-dicarbonyl compounds
  • branched fatty acids
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acyls
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • branched fatty acid
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • 1,3-dicarbonyl compound
  • organooxygen compound