Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:09:14 UTC
Update Date2025-03-24 14:12:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00792625
Frequency1.9
Structure
Chemical FormulaC2H3NOS
Molecular Mass88.9935
SMILESOCN=C=S
InChI KeySDHGOEXKKZOFHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkanolamines
  • hydrocarbon derivatives
  • imines
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • imine
  • 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
  • alkanolamine