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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:57 UTC
Update Date2025-03-25 00:57:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224357
Frequency0.5
Structure
Chemical FormulaC7H10N2O4
Molecular Mass186.0641
SMILESO=C(O)C1(O)CC2C(O)=NCN2C1
InChI KeyIXCOAIKGFMTCOM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidine carboxylic acids and derivatives
Direct Parent pyrrolidine carboxylic acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • imidazolines
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tertiary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • organic 1,3-dipolar compound
  • hydroxy acid
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • imidazoline
  • 3-imidazoline
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound