Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:57 UTC
Update Date2025-03-21 18:06:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00062115
Frequency50.0
Structure
Chemical FormulaC8H19NO6P+
Molecular Mass256.0944
SMILESC[N+](C)(C)CCOP(=O)(O)OCC(=O)CO
InChI KeyDLUPCWDUTRNRQU-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
  • alcohols and polyols
  • alpha-hydroxy ketones
  • amines
  • dialkyl phosphates
  • glycerone and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • alpha-hydroxy ketone
  • ketone
  • saccharide
  • organic oxide
  • glycerone or derivatives
  • organopnictogen compound
  • organic cation
  • organic salt
  • alcohol
  • tetraalkylammonium salt
  • phosphocholine
  • dialkyl phosphate
  • organic oxygen compound
  • phosphoric acid ester
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound