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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:47 UTC
Update Date2025-03-25 01:02:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253418
Frequency0.5
Structure
Chemical FormulaC9H11N6O6P
Molecular Mass330.0478
SMILESNc1ncnc2c1ncn2C1NC(=O)C(COP(=O)(O)O)O1
InChI KeyACMFJVLNXZFRHP-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
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • lactams
  • monoalkyl phosphates
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazolidinones
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • lactam
  • amino acid or derivatives
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • azole
  • n-substituted imidazole
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • oxazolidinone
  • organic oxygen compound
  • oxazolidine
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • primary amine
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound