Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:42:59 UTC
Update Date2025-03-21 17:59:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00021988
Frequency180.8
Structure
Chemical FormulaC4H8O3S
Molecular Mass136.0194
SMILESO=C(O)C(CO)CS
InChI KeyPPYDCRVVJYJFSQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organosulfur compounds
  • primary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • organosulfur compound
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary alcohol
  • alkylthiol
  • organooxygen compound