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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:55 UTC
Update Date2025-03-25 00:45:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150957
Frequency0.5
Structure
Chemical FormulaC29H56O3
Molecular Mass452.4229
SMILESCCCCCCCCCCCC=CC(=O)OCC(O)CCCCCCCCCCCCC
InChI KeyRXJCGFNHFPXCAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty alcohols
Direct Parent long-chain fatty alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • fatty alcohol esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • enoate ester
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • fatty alcohol ester
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • long chain fatty alcohol
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound