Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:25:27 UTC
Update Date2025-03-24 14:19:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00831921
Frequency1.8
Structure
Chemical FormulaC5H9NOS
Molecular Mass131.0405
SMILESCCC(O)=NC(C)=S
InChI KeyPIJFZHMJSTXAOA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classpropargyl-type 1,3-dipolar organic compounds
Subclass propargyl-type 1,3-dipolar organic compounds
Direct Parent propargyl-type 1,3-dipolar organic compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • thiocarbonyl compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • thiocarbonyl group
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound