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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:41 UTC
Update Date2025-03-21 18:36:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111995
Frequency23.7
Structure
Chemical FormulaC6H17NO4P+
Molecular Mass198.089
SMILESCC(C[N+](C)(C)C)OP(=O)(O)O
InChI KeyHECOIRVVJXOEOP-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
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic cations
  • organic oxides
  • organic salts
  • organooxygen compounds
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • phosphocholine
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound