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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:09 UTC
Update Date2025-03-25 00:51:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185657
Frequency0.5
Structure
Chemical FormulaC8H12N6O2
Molecular Mass224.1022
SMILESNc1nc(NCC(O)CO)c2[nH]cnc2n1
InChI KeyCVZLVRULINRYHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazopyrimidines
Subclass purines and purine derivatives
Direct Parent purines and purine derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • organopnictogen compounds
  • primary alcohols
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • secondary alkylarylamines
  • Substituents
  • pyrimidine
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • imidolactam
  • azole
  • 1,2-diol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • purine
  • organic nitrogen compound
  • amine
  • organooxygen compound