Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:10:08 UTC
Update Date2025-03-24 16:42:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00938805
Frequency1.5
Structure
Chemical FormulaC6H9NOS
Molecular Mass143.0405
SMILESO=C1CCN2CSCC12
InChI KeyXYUHPBQCGWHSDZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolothiazoles
Subclass pyrrolothiazoles
Direct Parent pyrrolothiazoles
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-3-ones
  • thiazolidines
  • thiohemiaminal derivatives
  • Substituents
  • carbonyl group
  • azacycle
  • 3-pyrrolidone
  • n-alkylpyrrolidine
  • pyrrolothiazole
  • dialkylthioether
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • thioether
  • pyrrole
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound
  • thiazolidine