Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:33:49 UTC
Update Date2025-03-25 00:20:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01285029
Frequency1.0
Structure
Chemical FormulaC6H9NOS
Molecular Mass143.0405
SMILESC=CCSCC(N)=C=O
InChI KeyJRIDNRJXWQXEMY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classallyl sulfur compounds
Subclass allyl sulfur compounds
Direct Parent allyl sulfur compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • ynolates
  • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • allyl sulfur compound
  • organic oxide
  • organic oxygen compound
  • ynolate
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound