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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:51 UTC
Update Date2025-03-21 18:01:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00035757
Frequency99.4
Structure
Chemical FormulaC7H12O4
Molecular Mass160.0736
SMILESO=C(O)CCCCC(=O)CO
InChI KeyKIKORHQRQKFYQV-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
  • alcohols and polyols
  • alpha-hydroxy ketones
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • fatty acid
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • ketone
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound