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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:16 UTC
Update Date2025-03-25 00:46:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156418
Frequency0.5
Structure
Chemical FormulaC27H53N2O4+
Molecular Mass469.4
SMILESC[N+](C)(C)CCOC(=O)CCCCCCCCCC=CCCCCCCCC(=O)NCCO
InChI KeyRVQUFOJJMVDCRS-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent acyl cholines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • n-acylethanolamines
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • tetraalkylammonium salts
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • fatty amide
  • carboxylic acid derivative
  • organic oxide
  • organopnictogen compound
  • organic cation
  • organic salt
  • alkanolamine
  • alcohol
  • tetraalkylammonium salt
  • carboxamide group
  • n-acylethanolamine
  • n-acyl-amine
  • secondary carboxylic acid amide
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • acyl choline
  • hydrocarbon derivative
  • amine
  • organooxygen compound