Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:26:59 UTC
Update Date2025-03-24 21:38:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01841321
Frequency0.7
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCC(CO)CC(O)C=O
InChI KeyVORCPEFEBMEYHN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydroxyaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organic oxide
  • alpha-hydroxyaldehyde
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol