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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:02:29 UTC
Update Date2025-03-21 20:11:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00348803
Frequency5.4
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESCC(C=O)C(=O)CO
InChI KeyCSEMKQMXZCMBHQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta ketoaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alcohols and polyols
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • short-chain aldehydes
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • short-chain aldehyde
  • beta-ketoaldehyde
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound