Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:46:30 UTC
Update Date2025-03-24 21:20:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01745946
Frequency0.7
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESO=CCCC(O)C=O
InChI KeyQCKVEJNIUWLVTP-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-hydrogen aldehydes
  • alpha-hydroxyaldehydes
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • short-chain aldehydes
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • short-chain aldehyde
  • monosaccharide
  • aldehyde
  • organic oxide
  • alpha-hydroxyaldehyde
  • alpha-hydrogen aldehyde
  • secondary alcohol
  • hydrocarbon derivative