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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:36 UTC
Update Date2025-03-21 18:02:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00037616
Frequency93.5
Structure
Chemical FormulaC9H11N3O2
Molecular Mass193.0851
SMILESCN1C(=O)C(O)CC1c1cncnc1
InChI KeyCCIVLLDDZWUSLQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidines and pyrimidine derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • alcohol
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound