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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:39:36 UTC
Update Date2025-03-21 22:53:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00579483
Frequency2.8
Structure
Chemical FormulaC3H9NO2S
Molecular Mass123.0354
SMILESCNCC[SH](=O)=O
InChI KeyBYGNXQVPFCTQRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiols
Subclass alkylthiols
Direct Parent alkylthiols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfur compounds
  • s-alkylsulfenates
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • s-alkylsulfenate
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkylthiol
  • amine