Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:46:57 UTC
Update Date2025-03-24 21:20:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01746976
Frequency0.7
Structure
Chemical FormulaC4H9NO2S
Molecular Mass135.0354
SMILESCC(C)C(=O)S(N)=O
InChI KeyYQWDNSCLZAFAQR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aminosulfinyl compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • sulfinic acid amides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • sulfinic acid derivative
  • sulfinic acid amide
  • organosulfur compound
  • carboxylic acid derivative
  • aminosulfinyl compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiolactone
  • organooxygen compound