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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:44:04 UTC
Update Date2025-03-21 21:56:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00447663
Frequency3.9
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESCN1CC(=O)C(C(=O)O)C1
InChI KeyOIEAPXKILHXMIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidine carboxylic acids and derivatives
Direct Parent pyrrolidine carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine-3-ones
  • trialkylamines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • 3-pyrrolidone
  • amino acid or derivatives
  • amino acid
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • pyrrolidine carboxylic acid
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • amine
  • organooxygen compound