Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:44:52 UTC
Update Date2025-03-21 21:57:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00449574
Frequency3.9
Structure
Chemical FormulaC6H12OS
Molecular Mass132.0609
SMILESCCCOC(=S)CC
InChI KeyLJPQPOPWEZOQGU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classthiocarboxylic acids and derivatives
Subclass thioesters
Direct Parent thioesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carbothioic o-esters
  • hydrocarbon derivatives
  • thiocarbonyl compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carbothioic o-ester
  • organic oxygen compound
  • thiocarboxylic acid ester
  • thiocarbonyl group
  • hydrocarbon derivative
  • organosulfur compound
  • organooxygen compound