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Showing information for DMID00104534

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:38 UTC
Update Date2025-03-21 18:35:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104534
Frequency25.9
Structure
Chemical FormulaC5H9NS2
Molecular Mass147.0176
SMILESS=C=NCCCCS
InChI KeyNSHSQTFUNFUMRM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • 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
  • alkylthiol
  • propargyl-type 1,3-dipolar organic compound