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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:47:24 UTC
Update Date2025-03-21 22:56:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00598159
Frequency2.7
Structure
Chemical FormulaC5H6O2
Molecular Mass98.0368
SMILESC=CCC(=O)C=O
InChI KeyXVAVEESGSGHXPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha ketoaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • short-chain aldehydes
    • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • short-chain aldehyde
  • hydrocarbon derivative
  • alpha-ketoaldehyde