Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:10 UTC
Update Date2025-03-25 00:53:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199328
Frequency0.5
Structure
Chemical FormulaC3H5NO2S
Molecular Mass119.0041
SMILESNC(=O)CC(=O)S
InChI KeyQGDVHQNSOVXYMW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • carbodithioic acids
  • carbonyl compounds
  • carbothioic s-acids
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • primary carboxylic acid amides
  • thiocarboxylic acids and derivatives
  • Substituents
  • primary carboxylic acid amide
  • aliphatic acyclic compound
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • carbodithioic acid
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • carbothioic s-acid
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiolactone
  • alkylthiol
  • organooxygen compound