Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:48 UTC
Update Date2025-03-25 00:55:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02212476
Frequency0.5
Structure
Chemical FormulaC21H40O4
Molecular Mass356.2927
SMILESCCCCCCCCCCCCCCCC(C)OC(=O)CCC(=O)O
InChI KeyVZTNKNLKDYCYLB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • short-chain hydroxy acids and derivatives
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • carboxylic acid derivative
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound