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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:42:34 UTC
Update Date2025-03-24 22:11:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02020713
Frequency0.6
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESO=C=NCC(O)CO
InChI KeyLBWLBFGMKIIRBM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass isocyanates
Direct Parent isocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • isocyanate
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound
  • 1,2-diol