Hmdb loader

Showing information for DMID00117302

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:52 UTC
Update Date2025-03-21 18:37:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117302
Frequency22.3
Structure
Chemical FormulaC6H11NOS3
Molecular Mass209.0003
SMILESCS(=O)CCSCCN=C=S
InChI KeyGVWFAOBYGPGXNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • sulfenyl compound
  • dialkylthioether
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • thioether
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound