Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:15 UTC
Update Date2025-03-21 18:04:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00053338
Frequency60.7
Structure
Chemical FormulaC4H6OS
Molecular Mass102.0139
SMILESC=CCSC=O
InChI KeyAISOWOQKZCFOHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • allyl sulfur compounds
  • carbonyl compounds
  • carbothioic s-esters
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • thioesters
  • Substituents
  • aliphatic acyclic compound
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • sulfenyl compound
  • thiocarboxylic acid ester
  • allyl sulfur compound
  • organosulfur compound
  • carboxylic acid derivative
  • carbothioic s-ester
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • thiolactone
  • organooxygen compound