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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:19:32 UTC
Update Date2025-03-25 00:39:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02108453
Frequency0.6
Structure
Chemical FormulaC3H3NO2
Molecular Mass85.0164
SMILESC[N+]([O-])=C=C=O
InChI KeyNJYYZVNNGXYENJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass nitrones
Direct Parent nitrones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite
  • nitrone