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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:05 UTC
Update Date2025-03-25 00:59:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240272
Frequency0.5
Structure
Chemical FormulaC4H3NO3
Molecular Mass113.0113
SMILESO=C=NCC(O)=C=O
InChI KeyYMNVACCMFBVSPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass isocyanates
Direct Parent isocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkanolamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • isocyanate
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • ynolate
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound
  • alkanolamine