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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:27 UTC
Update Date2025-03-25 01:01:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250424
Frequency0.5
Structure
Chemical FormulaC4H5NO3
Molecular Mass115.0269
SMILESO=C1COC(CO)=N1
InChI KeyLKWYXJLFJSXGCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass oxazolines
Direct Parent oxazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • imidoesters
  • n-acylimines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • n-acylimine
  • alcohol
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • imido ester
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • oxazoline
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound