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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:36 UTC
Update Date2025-03-25 00:49:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175266
Frequency0.5
Structure
Chemical FormulaC21H44N2O6P+
Molecular Mass451.2932
SMILESCCCCC=CCCCCCCCC(=O)NC(O)COP(=O)(O)OCC[N+](C)(C)C
InChI KeyVXCGOGVFMMFCBB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent phosphocholines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkanolamines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl phosphates
  • hydrocarbon derivatives
  • n-acyl amines
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • phosphoethanolamines
  • secondary carboxylic acid amides
  • tetraalkylammonium salts
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • fatty amide
  • carboxylic acid derivative
  • phosphoethanolamine
  • organic oxide
  • organopnictogen compound
  • organic cation
  • organic salt
  • alkanolamine
  • tetraalkylammonium salt
  • carboxamide group
  • n-acyl-amine
  • phosphocholine
  • secondary carboxylic acid amide
  • dialkyl phosphate
  • organic oxygen compound
  • phosphoric acid ester
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound