Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:26:51 UTC
Update Date2025-03-25 01:26:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02401174
Frequency0.5
Structure
Chemical FormulaC4H9NOS
Molecular Mass119.0405
SMILESCC(C)CSN=O
InChI KeyPEQVEBPSDQNBER-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organic nitroso compounds
Direct Parent nitrosothiols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfenyl compound
  • hydrocarbon derivative
  • organosulfur compound
  • nitrosothiol-group
  • nitrosothiol