Hmdb loader

Showing information for DMID00703176

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:32:03 UTC
Update Date2025-03-24 13:57:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00703176
Frequency2.2
Structure
Chemical FormulaC4H5NOS
Molecular Mass115.0092
SMILESCCC(=O)N=C=S
InChI KeyLYULLJDMUFOQHU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanate acids
Direct Parent isothiocyanate acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • isothiocyanate acid
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound