Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:19:15 UTC
Update Date2025-03-21 19:11:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00249071
Frequency8.4
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCCC(CO)C(=O)CO
InChI KeyVQWDNMRWOIAVDJ-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
  • alpha-hydroxy ketones
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • primary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • primary alcohol