Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:32 UTC
Update Date2025-03-21 18:38:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123551
Frequency20.9
Structure
Chemical FormulaC7H13NOS2
Molecular Mass191.0439
SMILESC=CS(=O)C(=S)N(CC)CC
InChI KeyPGGOCOLYYGJMOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfoxides
Subclass sulfoxides
Direct Parent sulfoxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfinyl compounds
  • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound