Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:20 UTC
Update Date2025-03-21 17:57:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00006924
Frequency738.7
Structure
Chemical FormulaC4H6O3
Molecular Mass102.0317
SMILESCC(=O)C(=O)CO
InChI KeyNXIVQSJQXMAXJR-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-hydroxy ketones
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • organic oxide
  • hydrocarbon derivative
  • alpha-hydroxy ketone
  • alpha-diketone