Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:44:39 UTC
Update Date2025-03-21 18:49:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00168498
Frequency14.0
Structure
Chemical FormulaC5H10O4
Molecular Mass134.0579
SMILESO=CC(O)COCCO
InChI KeyBCGXFUGMHWYRPX-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-hydroxyaldehydes
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • short-chain aldehydes
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • short-chain aldehyde
  • ether
  • monosaccharide
  • aldehyde
  • dialkyl ether
  • organic oxide
  • alpha-hydroxyaldehyde
  • secondary alcohol
  • hydrocarbon derivative