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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:36:26 UTC
Update Date2025-03-24 13:59:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00713939
Frequency2.2
Structure
Chemical FormulaC5H9NO2
Molecular Mass115.0633
SMILESCC1=NC(CO)CO1
InChI KeyXMRIIMZQUDHJLK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass oxazolines
Direct Parent oxazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imidoesters
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • imido ester
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • oxazoline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound