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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:04 UTC
Update Date2025-03-25 00:47:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162589
Frequency0.5
Structure
Chemical FormulaC16H19N6O13P
Molecular Mass534.0748
SMILESO=C(O)CC(NC(=O)C(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O)C(=O)O
InChI KeyJYYWZPUFRDZSCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpurine nucleotides
Subclass purine ribonucleotides
Direct Parent purine ribonucleoside monophosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha amino acid amides
  • alpha amino acids
  • aspartic acid and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • n-acyl-alpha amino acids
  • n-arylamides
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • peptides
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • carboxylic acid
  • pentose phosphate
  • purine ribonucleoside monophosphate
  • monosaccharide
  • pentose-5-phosphate
  • n-arylamide
  • alpha-amino acid or derivatives
  • imidazopyrimidine
  • carboxylic acid derivative
  • alpha peptide
  • pyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • azole
  • 1,2-diol
  • n-substituted imidazole
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • alpha-amino acid amide
  • azacycle
  • n-acyl-alpha-amino acid
  • tetrahydrofuran
  • heteroaromatic compound
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • aspartic acid or derivatives
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound