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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:10:06 UTC
Update Date2025-03-21 19:05:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00227580
Frequency9.5
Structure
Chemical FormulaC5H7NOS
Molecular Mass129.0248
SMILESO=CCCCN=C=S
InChI KeyXOUVCOHZMPDWGP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydrogen aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • isothiocyanates
  • organic oxides
  • 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
  • organic oxide
  • alpha-hydrogen aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound