Hmdb loader

Showing information for DMID00052183

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:44 UTC
Update Date2025-03-21 18:04:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00052183
Frequency62.4
Structure
Chemical FormulaC3H3NS
Molecular Mass84.9986
SMILESC=CN=C=S
InChI KeyVJCLZQUHGQSTMZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound