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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:01:11 UTC
Update Date2025-03-25 01:16:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02342116
Frequency0.5
Structure
Chemical FormulaC59H118N2O6P+
Molecular Mass981.8722
SMILESCCCCCCCC=CCCCCCCCC(O)C(CCCCCCCC=CCCCCCCCC)NC(COP(=O)(O)OCC[N+](C)(C)C)C(O)CCCCCCCC=CCCCCCCC
InChI KeyHVURUARPXOSJGQ-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
  • dialkyl phosphates
  • dialkylamines
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • phosphoethanolamines
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • tetraalkylammonium salt
  • secondary amine
  • phosphocholine
  • dialkyl phosphate
  • phosphoethanolamine
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound