Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:48 UTC
Update Date2025-03-25 00:50:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180350
Frequency0.5
Structure
Chemical FormulaC6H17NO3PS+
Molecular Mass214.0661
SMILESC[N+](C)(C)CCCOP(O)(O)=S
InChI KeyAXZRIWGFABOHOH-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