Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:52 UTC
Update Date2025-03-21 18:06:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00064193
Frequency47.9
Structure
Chemical FormulaC7H19NO3PS+
Molecular Mass228.0818
SMILESCCOP(O)(=S)OCC[N+](C)(C)C
InChI KeyWFEMUZIHVFEFEX-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic thiophosphoric acids and derivatives
Subclass thiophosphoric acid esters
Direct Parent thiophosphate diesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organooxygen compounds
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • thiophosphate diester
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound