Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:23:31 UTC
Update Date2025-03-24 21:09:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01690786
Frequency0.7
Structure
Chemical FormulaC5H9NOS
Molecular Mass131.0405
SMILESC=CCSC(O)=NC
InChI KeyICIVRBZBXGMEDL-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
  • hydrocarbon derivatives
  • imines
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • imine
  • allyl sulfur compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound