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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:30 UTC
Update Date2025-03-25 00:48:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168176
Frequency0.5
Structure
Chemical FormulaC7H12O5
Molecular Mass176.0685
SMILESCC(C=O)C(=O)C(O)C(O)CO
InChI KeyFXYWYOUESKMSCW-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
  • 1,3-dicarbonyl compounds
  • acyloins
  • alpha-hydroxy ketones
  • beta ketoaldehydes
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • medium-chain aldehydes
  • monosaccharides
  • organic oxides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • beta-ketoaldehyde
  • monosaccharide
  • aldehyde
  • alpha-hydroxy ketone
  • medium-chain aldehyde
  • ketone
  • saccharide
  • organic oxide
  • organic oxygen compound
  • fatty alcohol
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • primary alcohol
  • organooxygen compound