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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:34 UTC
Update Date2025-03-21 17:58:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00014442
Frequency305.4
Structure
Chemical FormulaC13H20N4O8
Molecular Mass360.1281
SMILESCC(O)C(NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N)C(=O)O
InChI KeyZJFQFPHOELGDFK-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 heteromonocyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carbonylimidazoles
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl-alpha amino acids
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • monosaccharide
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • imidazole
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • imidazole-4-carbonyl group
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • vinylogous amide
  • azacycle
  • n-acyl-alpha-amino acid
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxy acid
  • carboxamide group
  • 1-ribosyl-imidazolecarboxamide
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound