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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:39 UTC
Update Date2025-03-25 00:54:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207307
Frequency0.5
Structure
Chemical FormulaC11H17N5O3
Molecular Mass267.1331
SMILESNc1nc2c(c(=O)[nH]1)CC(CCC(N)C(=O)O)CN2
InChI KeyYSUCLCGMKLBVQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyridopyrimidines
Direct Parent pyridopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • pyridines and derivatives
  • pyrimidones
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • pyrimidone
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • pyridopyrimidine
  • organopnictogen compound
  • imidolactam
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound