Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:25 UTC
Update Date2025-03-21 18:34:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101557
Frequency26.9
Structure
Chemical FormulaC8H14O5
Molecular Mass190.0841
SMILESCCCOC(=O)C(O)C(=O)OCC
InChI KeyHOCIDYBGDYERPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass dicarboxylic acids and derivatives
Direct Parent dicarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • saccharide
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound