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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:25 UTC
Update Date2025-03-21 18:04:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00051433
Frequency63.5
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESCOC(=O)C(C)C=O
InChI KeyHWYJZXYVLPKDLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • short-chain aldehydes
    • Substituents
  • aliphatic acyclic compound
  • short-chain aldehyde
  • aldehyde
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • carboxylic acid ester
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound