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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:14 UTC
Update Date2025-03-21 18:38:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122905
Frequency21.0
Structure
Chemical FormulaC7H12O5
Molecular Mass176.0685
SMILESO=C(O)CCCC(=O)C(O)CO
InChI KeyGDMRFQGTENNRAZ-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
  • 1,2-diols
  • acyloins
  • alpha-hydroxy ketones
  • beta-hydroxy ketones
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • fatty acyl
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • fatty acid
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • ketone
  • saccharide
  • organic oxide
  • medium-chain fatty acid
  • hydroxy fatty acid
  • primary alcohol
  • 1,2-diol
  • alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound