Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:56:29 UTC
Update Date2025-03-21 22:02:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00476856
Frequency3.6
Structure
Chemical FormulaC5H8O2S
Molecular Mass132.0245
SMILESCC(=O)CCC(O)=S
InChI KeyZGVDOBRDNWJNDJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbodithioic acids
  • carbothioic o-acids
  • hydrocarbon derivatives
  • organic oxides
  • thiocarbonyl compounds
  • thiocarboxylic acids and derivatives
  • Substituents
  • aliphatic acyclic compound
  • thiocarboxylic acid or derivatives
  • thiocarbonyl group
  • carbodithioic acid
  • organosulfur compound
  • ketone
  • organic oxide
  • carbothioic o-acid
  • hydrocarbon derivative