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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:52 UTC
Update Date2025-03-25 00:46:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153174
Frequency0.5
Structure
Chemical FormulaC7H14N2S
Molecular Mass158.0878
SMILESC=CCSCCC(N)=NC
InChI KeyMVWAQEJSFSVEOK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classallyl sulfur compounds
Subclass allyl sulfur compounds
Direct Parent allyl sulfur compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amidines
  • carboximidamides
  • dialkylthioethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • allyl sulfur compound
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound