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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:25 UTC
Update Date2025-03-25 00:54:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206759
Frequency0.5
Structure
Chemical FormulaC6H10O5
Molecular Mass162.0528
SMILESO=C(CO)C(CO)C(=O)CO
InChI KeyIKPLJPCGABXILA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-diketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • primary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • monosaccharide
  • alpha-hydroxy ketone
  • ketone
  • saccharide
  • organic oxide
  • hydrocarbon derivative
  • primary alcohol
  • 1,3-diketone