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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:33 UTC
Update Date2025-03-21 18:37:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00114126
Frequency23.2
Structure
Chemical FormulaC8H11N3O2
Molecular Mass181.0851
SMILESCN1C(=O)CCC1c1c[n+]([O-])c[nH]1
InChI KeyBNNRPMRTMUNUHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent n-substituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound
  • n-substituted imidazole