Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:36:23 UTC
Update Date2025-03-21 17:57:18 UTC
HMDB IDHMDB0303124
Metabolite Identification
DeepMet IDDMID00007021
NameAllylpropyl sulfide
Frequency726.8
Structure
Chemical FormulaC6H12S
Molecular Mass116.066
SMILESC=CCSCCC
InChI KeyJMLIYQJQKZYHDQ-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