Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:59:12 UTC
Update Date2025-03-21 23:02:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00625385
Frequency2.6
Structure
Chemical FormulaC3H5NO2S
Molecular Mass119.0041
SMILESN=CSCC(=O)O
InChI KeyFIOBONKYCYBBNK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classimidothioesters
Subclass imidothioesters
Direct Parent imidothioesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • imidothioic acids and derivatives
  • imines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • imine
  • carboxylic acid derivative
  • imidothioester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidothioic acid or derivatives
  • organooxygen compound