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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:42 UTC
Update Date2025-03-25 00:55:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02212236
Frequency0.5
Structure
Chemical FormulaC34H65NO3
Molecular Mass535.4964
SMILESCCCCCCCCCC=CC(=O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC
InChI KeySXDXYJRGDAZERC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent b'-hydroxy-alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • beta-hydroxy ketones
  • carboxylic acids and derivatives
  • enones
  • hydrocarbon derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • fatty acyl
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • b'-hydroxy-alpha,beta-unsaturated-ketone
  • fatty amide
  • carboxamide group
  • carboxylic acid derivative
  • n-acyl-amine
  • ketone
  • secondary carboxylic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • primary alcohol
  • enone