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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:45 UTC
Update Date2025-03-25 00:46:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152889
Frequency0.5
Structure
Chemical FormulaC9H13NO3
Molecular Mass183.0895
SMILESC=CCN1CCC(OC(C)=O)C1=O
InChI KeyMJBGQHSLBUIYFY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound