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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:04 UTC
Update Date2025-03-25 00:57:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226786
Frequency0.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC(O)CC(=O)CC=O
InChI KeyJXEPDBAXAQABMV-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
  • alpha-hydrogen aldehydes
  • beta ketoaldehydes
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • beta-ketoaldehyde
  • medium-chain aldehyde
  • ketone
  • organic oxide
  • alpha-hydrogen aldehyde
  • secondary alcohol
  • hydrocarbon derivative