Hmdb loader

Showing information for DMID00229536

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:10:59 UTC
Update Date2025-03-21 19:06:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00229536
Frequency9.4
Structure
Chemical FormulaC5H10N2S
Molecular Mass130.0565
SMILESCNCCCN=C=S
InChI KeyFJYDIYFPKUNLPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • isothiocyanate
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine