Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:23 UTC
Update Date2025-03-25 00:56:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220758
Frequency0.5
Structure
Chemical FormulaC11H18O7
Molecular Mass262.1053
SMILESO=C(O)CCCOC(=O)CCC(O)CCC(=O)O
InChI KeyLDNWINXKMIBPPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • tricarboxylic acid or derivatives
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound