Hmdb loader

Showing information for DMID00727587

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:42:06 UTC
Update Date2025-03-24 14:01:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00727587
Frequency2.1
Structure
Chemical FormulaC4H7NOS
Molecular Mass117.0248
SMILESCSCCN=C=O
InChI KeyAAEBLLZFCQTPAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass isocyanates
Direct Parent isocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • isocyanate
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • thioether
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound