Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:00 UTC
Update Date2025-03-21 18:00:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00029007
Frequency163.3
Structure
Chemical FormulaC5H15NO3PS+
Molecular Mass200.0505
SMILESC[N+](C)(C)CCOP(O)(O)=S
InChI KeyRRNMXZDPHPNPSK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic thiophosphoric acids and derivatives
Subclass thiophosphoric acid esters
Direct Parent thiophosphate monoesters
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 monoester
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound