Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:12 UTC
Update Date2025-03-25 00:49:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174337
Frequency0.5
Structure
Chemical FormulaC13H22O6
Molecular Mass274.1416
SMILESCCCCCCCC(OC(=O)CCC(=O)O)C(=O)O
InChI KeyLKSULMDMDMXQAW-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
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • tricarboxylic acid or derivatives
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound