Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:18 UTC
Update Date2025-03-25 00:50:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179204
Frequency0.5
Structure
Chemical FormulaC7H10NS+
Molecular Mass140.0528
SMILESCSc1ccc[n+](C)c1
InChI KeySWXBLTNPHSYGEP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpyridinium compounds
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • sulfenyl compound
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • alkylarylthioether
  • aryl thioether
  • pyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organoheterocyclic compound