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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:47 UTC
Update Date2025-03-25 00:58:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232790
Frequency0.5
Structure
Chemical FormulaC9H16O7
Molecular Mass236.0896
SMILESCCC(=O)OC(C=O)C(O)C(O)C(O)CO
InChI KeyBXNIPUPZEZMZJG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty alcohols
Direct Parent fatty alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-acyloxy aldehydes
  • beta-hydroxy aldehydes
  • carboxylic acid esters
  • hydrocarbon derivatives
  • medium-chain aldehydes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • carbonyl group
  • monosaccharide
  • aldehyde
  • carboxylic acid derivative
  • medium-chain aldehyde
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • fatty alcohol
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • alpha-acyloxy aldehyde
  • organooxygen compound