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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:57 UTC
Update Date2025-03-25 00:51:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189811
Frequency0.5
Structure
Chemical FormulaC21H46N2O5P+
Molecular Mass437.3139
SMILESC=CCCCCCCCCCCCC(O)C(N)COP(=O)(O)OCC[N+](C)(C)C
InChI KeyVUXXJKYKVVYUIW-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
  • amines
  • dialkyl phosphates
  • hydrocarbon derivatives
  • monoalkylamines
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • phosphoethanolamines
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • phosphocholine
  • dialkyl phosphate
  • phosphoethanolamine
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic cation
  • organic salt
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound