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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:13 UTC
Update Date2025-03-21 18:37:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115705
Frequency22.7
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCCCC(O)C(O)C=O
InChI KeyJEGKYWBIXBMFNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent medium-chain aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • monosaccharide
  • medium-chain aldehyde
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • secondary alcohol
  • hydrocarbon derivative
  • 1,2-diol