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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:25 UTC
Update Date2025-03-25 00:49:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174832
Frequency0.5
Structure
Chemical FormulaC10H17NOS
Molecular Mass199.1031
SMILESCCCC=CCC(=C=O)NCCS
InChI KeyNQMLCZVKEHJFKD-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
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • ynolate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkylthiol
  • organooxygen compound
  • amine