Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:53:41 UTC
Update Date2025-03-24 14:37:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00899152
Frequency1.6
Structure
Chemical FormulaC5H6O4
Molecular Mass130.0266
SMILESCCOC(=O)C(=O)C=O
InChI KeyNOILYMFGMYURKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass alpha-keto acids and derivatives
Direct Parent alpha-keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha ketoaldehydes
  • carboxylic acid esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • short-chain aldehydes
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • short-chain aldehyde
  • aldehyde
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alpha-keto acid
  • hydrocarbon derivative
  • alpha-ketoaldehyde
  • organooxygen compound