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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:00 UTC
Update Date2025-03-25 00:52:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02192108
Frequency0.5
Structure
Chemical FormulaC22H40O7
Molecular Mass416.2774
SMILESCCCCCCC=CCCCCCCCC(=O)OC(C(O)CO)C(O)C(O)C=O
InChI KeyNBWMSBWWJQQWAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty alcohols
Direct Parent fatty alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • medium-chain aldehydes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • carbonyl group
  • monosaccharide
  • aldehyde
  • carboxylic acid derivative
  • medium-chain aldehyde
  • fatty acid ester
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • alpha-hydroxyaldehyde
  • organic oxygen compound
  • fatty alcohol
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound