Hmdb loader

Showing information for DMID00306584

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:44:23 UTC
Update Date2025-03-21 20:01:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00306584
Frequency6.4
Structure
Chemical FormulaC7H9NS
Molecular Mass139.0456
SMILESS=C=NC1CC=CCC1
InChI KeyYQXLWFHKVJXOQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • isothiocyanate
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound