Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:01:50 UTC
Update Date2025-03-21 23:05:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00631559
Frequency2.5
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCC(C)OCC(=O)CO
InChI KeyKOHSHWJHDTVXSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alpha-hydroxy ketones
  • dialkyl ethers
  • glycerone and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • monosaccharide
  • alpha-hydroxy ketone
  • dialkyl ether
  • ketone
  • organic oxide
  • glycerone or derivatives
  • hydrocarbon derivative