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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:08:22 UTC
Update Date2025-03-24 16:41:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00934484
Frequency1.5
Structure
Chemical FormulaC5H9NOS
Molecular Mass131.0405
SMILESCC(C)(O)CN=C=S
InChI KeyDTGJUYFUYKZDBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • isothiocyanates
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • tertiary alcohol
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound