Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:51 UTC
Update Date2025-03-25 00:46:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153133
Frequency0.5
Structure
Chemical FormulaC7H15NS2
Molecular Mass177.0646
SMILESC=CCSCCSCCN
InChI KeyJTSXPTWEYMHXCJ-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
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • thioether
  • dialkylthioether
  • allyl sulfur compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound