Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:48 UTC
Update Date2025-03-25 00:51:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189483
Frequency0.5
Structure
Chemical FormulaC23H42O6
Molecular Mass414.2981
SMILESCC(CCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCC(=O)O
InChI KeyQVACBMWWGZOCPZ-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