Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:04:20 UTC
Update Date2025-03-21 19:02:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00214389
Frequency10.2
Structure
Chemical FormulaC4H8OS
Molecular Mass104.0296
SMILESC[SH]=CC(C)=O
InChI KeyQUMOISCEKKOVSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
  • thioaldehydes
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • thioaldehyde
  • hydrocarbon derivative
  • organosulfur compound
  • alkylthiol