Hmdb loader

Showing information for DMID00085832

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:53 UTC
Update Date2025-03-21 18:31:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00085832
Frequency33.3
Structure
Chemical FormulaC7H9NS
Molecular Mass139.0456
SMILESS=C=NC1C=CCCC1
InChI KeyOPTPDKQSWDBZEC-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