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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:04 UTC
Update Date2025-03-25 00:50:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178679
Frequency0.5
Structure
Chemical FormulaC13H21N3O5
Molecular Mass299.1481
SMILESCc1cn(CCNC(=O)C(O)C(C)(C)CO)c(=O)[nH]c1=O
InChI KeyGQPFRPTZDKNCAH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monosaccharides
  • n-acyl amines
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • fatty acyl
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • fatty amide
  • monosaccharide
  • pyrimidone
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound