Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:09:07 UTC
Update Date2025-03-21 20:48:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00364627
Frequency5.1
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESCC(=O)CC(C=O)C(=O)O
InChI KeyUZKOTOXARRSOIM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass gamma-keto acids and derivatives
Direct Parent gamma-keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • aldehydes
  • branched fatty acids
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • short-chain keto acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain keto acid
  • aldehyde
  • carboxylic acid derivative
  • branched fatty acid
  • gamma-keto acid
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound