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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:55:52 UTC
Update Date2025-03-21 23:00:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00617849
Frequency2.6
Structure
Chemical FormulaC6H10N2S
Molecular Mass142.0565
SMILESCN1CCC(N=C=S)C1
InChI KeyFUBHINSWSDHBAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • isothiocyanates
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • isothiocyanate
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine