Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:08:27 UTC
Update Date2025-03-21 18:30:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00082482
Frequency35.0
Structure
Chemical FormulaC5H8O3S
Molecular Mass148.0194
SMILESO=CCCSCC(=O)O
InChI KeyLXJIHERKGPVGBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydrogen aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • carboxylic acid
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • alpha-hydrogen aldehyde
  • thioether
  • hydrocarbon derivative