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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:28:12 UTC
Update Date2025-03-21 22:19:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00552030
Frequency3.0
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESCCC(C=O)C(=O)C(=O)O
InChI KeyVBNBZORUDLLCHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass short-chain keto acids and derivatives
Direct Parent short-chain keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • beta ketoaldehydes
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • methyl-branched fatty acid
  • beta-ketoaldehyde
  • short-chain keto acid
  • aldehyde
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • branched fatty acid
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alpha-keto acid
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound