Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:05:50 UTC
Update Date2025-03-21 18:29:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00076136
Frequency38.7
Structure
Chemical FormulaC6H8O2S
Molecular Mass144.0245
SMILESCC(=O)C1CCC(=O)S1
InChI KeyPWAZKTLLVQDXAU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbothioic s-lactones
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • thioesters
  • thiolactones
  • Substituents
  • thiolane
  • carbothioic s-lactone
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • thiocarboxylic acid ester
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • thiolactone
  • organooxygen compound