Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:07:06 UTC
Update Date2025-03-24 20:36:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01506665
Frequency0.8
Structure
Chemical FormulaC4H12NO2S+
Molecular Mass138.0583
SMILESC[N+](C)(C)C[SH](=O)=O
InChI KeyJHRADTXFNDWCLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • s-alkylsulfenates
  • Substituents
  • aliphatic acyclic compound
  • s-alkylsulfenate
  • tetraalkylammonium salt
  • organosulfur compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • alkylthiol