Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:31 UTC
Update Date2025-03-21 18:38:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121199
Frequency21.4
Structure
Chemical FormulaC4H12NO2PS2
Molecular Mass201.0047
SMILESCCOP(O)(=S)SCCN
InChI KeyHLRRZPZALNQJNN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic dithiophosphoric acids and derivatives
Subclass dithiophosphate s-esters
Direct Parent dithiophosphate s-esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dithiophosphate o-esters
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organothiophosphorus compounds
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dithiophosphate s-ester
  • organosulfur compound
  • dithiophosphate o-ester
  • organothiophosphorus compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound