Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:07:39 UTC
Update Date2025-03-21 22:09:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00503450
Frequency3.4
Structure
Chemical FormulaC4H8O2S
Molecular Mass120.0245
SMILESCC(=O)C=[SH](C)=O
InChI KeyCHNLBMNFKHTGPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiocarbonyl compounds
Subclass thioaldehydes
Direct Parent thioaldehyde s-oxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organosulfur compounds
  • s-alkylsulfenates
  • Substituents
  • aliphatic acyclic compound
  • s-alkylsulfenate
  • carbonyl group
  • ketone
  • organic oxide
  • organic oxygen compound
  • thioaldehyde-s-oxide
  • hydrocarbon derivative
  • alkylthiol
  • organooxygen compound