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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:36 UTC
Update Date2025-03-25 00:59:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236943
Frequency0.5
Structure
Chemical FormulaC18H35NO2S
Molecular Mass329.2388
SMILESO=C(CCCCCCCC=CCCCCCCS)NCCO
InChI KeyJFIHDLKLAGIBKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent n-acylethanolamines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • alkylthiols
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • fatty amide
  • organosulfur compound
  • carboxamide group
  • n-acylethanolamine
  • carboxylic acid derivative
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • alkylthiol
  • organooxygen compound