Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:03:17 UTC
Update Date2025-03-21 19:02:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00211878
Frequency10.4
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC(=O)CCC(O)C(C)=O
InChI KeyWUWOZSJWGAXIAD-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
  • acyloins
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative