Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:38 UTC
Update Date2025-03-25 00:49:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175355
Frequency0.5
Structure
Chemical FormulaC7H14O4
Molecular Mass162.0892
SMILESCC(C)OCC(O)C(O)C=O
InChI KeyCXBSSOVGAZINFW-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
  • 1,2-diols
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • carbonyl group
  • ether
  • monosaccharide
  • aldehyde
  • dialkyl ether
  • organic oxide
  • alpha-hydroxyaldehyde
  • secondary alcohol
  • hydrocarbon derivative
  • 1,2-diol