Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:48 UTC
Update Date2025-03-25 00:49:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02173442
Frequency0.5
Structure
Chemical FormulaC21H34O3
Molecular Mass334.2508
SMILESCCC(O)CCCC=CCC=CCC=CCC=CCCCC(=O)O
InChI KeyQEPQDQMSOMIRKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent long-chain fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • long-chain fatty alcohols
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • long-chain fatty acid
  • carboxylic acid
  • carboxylic acid derivative
  • long chain fatty alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • fatty alcohol
  • secondary alcohol
  • hydrocarbon derivative
  • hydroxy fatty acid
  • organooxygen compound