Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:32 UTC
Update Date2025-03-21 18:06:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00063405
Frequency48.7
Structure
Chemical FormulaC7H12OS
Molecular Mass144.0609
SMILESC=CCSCC(=O)CC
InChI KeyQEOKMMHFYXTFRB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • allyl sulfur compounds
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • allyl sulfur compound
  • organosulfur compound
  • ketone
  • organic oxide
  • thioether
  • hydrocarbon derivative