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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:34 UTC
Update Date2025-03-21 18:29:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00080400
Frequency36.2
Structure
Chemical FormulaC12H17N3O8
Molecular Mass331.1016
SMILESNc1c(CC(C(=O)O)C(=O)O)ncn1C1OC(CO)C(O)C1O
InChI KeyBMLWPQKIVMHRNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classimidazole ribonucleosides and ribonucleotides
Subclass imidazole ribonucleosides and ribonucleotides
Direct Parent imidazole ribonucleosides and ribonucleotides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • imidazole ribonucleoside
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • amine
  • organooxygen compound