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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:28 UTC
Update Date2025-03-25 00:49:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174944
Frequency0.5
Structure
Chemical FormulaC10H19NS
Molecular Mass185.1238
SMILESCCCCCC(N=C=S)C(C)C
InChI KeyRJIHUAMUXQFCKJ-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