Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:52:31 UTC
Update Date2025-03-24 14:05:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00752620
Frequency2.0
Structure
Chemical FormulaC4H4O4
Molecular Mass116.011
SMILESO=CC(=O)C(=O)CO
InChI KeyXSEYITBSKRUSNL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-diketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alpha ketoaldehydes
  • alpha-hydroxy ketones
  • beta ketoaldehydes
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • short-chain aldehydes
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • short-chain aldehyde
  • beta-ketoaldehyde
  • aldehyde
  • alpha-hydroxy ketone
  • alpha-diketone
  • organic oxide
  • hydrocarbon derivative
  • alpha-ketoaldehyde