Hmdb loader

Showing information for DMID00123932

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:42 UTC
Update Date2025-03-21 18:39:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123932
Frequency20.8
Structure
Chemical FormulaC6H12N2S
Molecular Mass144.0721
SMILESNCCCCCN=C=S
InChI KeyPTHKVARNDPHVIB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • 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
  • primary aliphatic amine
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound