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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:30:17 UTC
Update Date2025-03-21 20:57:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00414812
Frequency4.4
Structure
Chemical FormulaC3H7NOS
Molecular Mass105.0248
SMILESCN=C=[SH](C)=O
InChI KeyVWFNMLZTMMXHMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiols
Subclass alkylthiols
Direct Parent alkylthiols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
  • organosulfur compounds
  • propargyl-type 1,3-dipolar organic compounds
  • s-alkylsulfenates
    • Substituents
  • aliphatic acyclic compound
  • s-alkylsulfenate
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkylthiol