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Showing information for DMID00339536

Record Information
HMDB Statusdetected
Creation Date2024-02-21 01:58:32 UTC
Update Date2025-03-21 20:09:21 UTC
HMDB IDHMDB0252044
Metabolite Identification
DeepMet IDDMID00339536
NameEthyl isocyanate
Frequency5.6
Structure
Chemical FormulaC3H5NO
Molecular Mass71.0371
SMILESCCN=C=O
InChI KeyWUDNUHPRLBTKOJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass isocyanates
Direct Parent isocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • isocyanate
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organooxygen compound
  • propargyl-type 1,3-dipolar organic compound