Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:24 UTC
Update Date2025-03-21 18:38:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118598
Frequency22.0
Structure
Chemical FormulaC9H16S
Molecular Mass156.0973
SMILESC=CCSCCC=CCC
InChI KeyYLJIXGSMILKQJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classallyl sulfur compounds
Subclass allyl sulfur compounds
Direct Parent allyl sulfur compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • thioether
  • dialkylthioether
  • allyl sulfur compound
  • hydrocarbon derivative