Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:41 UTC
Update Date2025-03-25 00:58:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228100
Frequency0.5
Structure
Chemical FormulaC6H10OS
Molecular Mass130.0452
SMILESC=C(C)SCC(C)=O
InChI KeyJCPYTALWEPHLAY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • thioenol ethers
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • thioenolether
  • sulfenyl compound
  • hydrocarbon derivative
  • organosulfur compound