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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:06:14 UTC
Update Date2025-03-24 20:10:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01362068
Frequency1.0
Structure
Chemical FormulaC3H3NO2
Molecular Mass85.0164
SMILESO=C=NCC=O
InChI KeyZECCDBWBFLSYOA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass isocyanates
Direct Parent isocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • isocyanate
  • aldehyde
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound