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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:36 UTC
Update Date2025-03-25 01:02:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253024
Frequency0.5
Structure
Chemical FormulaC20H24N4O13P2
Molecular Mass590.0815
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1cn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)cn1
InChI KeySPSMVAXMATXJQI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classimidazole ribonucleosides and ribonucleotides
Subclass 1-ribosyl-imidazolecarboxamides
Direct Parent 1-ribosyl-imidazolecarboxamides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 2-heteroaryl carboxamides
  • alpha amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carbonylimidazoles
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • indoles
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl-alpha amino acids
  • n-substituted imidazoles
  • organic oxides
  • organic pyrophosphates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • pyrroles
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • pentose phosphate
  • indole
  • monosaccharide
  • pentose-5-phosphate
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • imidazole-4-carbonyl group
  • organoheterocyclic compound
  • azole
  • 1,2-diol
  • n-substituted imidazole
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • vinylogous amide
  • azacycle
  • n-acyl-alpha-amino acid
  • tetrahydrofuran
  • heteroaromatic compound
  • indole or derivatives
  • carboxamide group
  • organic pyrophosphate
  • 1-ribosyl-imidazolecarboxamide
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound