Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:35:06 UTC
Update Date2025-03-24 14:29:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00855221
Frequency1.7
Structure
Chemical FormulaC7H12OS
Molecular Mass144.0609
SMILESCC(=O)CSC=C(C)C
InChI KeyQLOKYAXRHYQTBG-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