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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:04:30 UTC
Update Date2025-03-24 21:01:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01644643
Frequency0.8
Structure
Chemical FormulaC4H5NO
Molecular Mass83.0371
SMILESOC1C=CC=N1
InChI KeyURJFJHFJOKEWBI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent alkanolamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imines
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • alkanolamine