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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:39 UTC
Update Date2025-03-21 18:39:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126215
Frequency20.3
Structure
Chemical FormulaC21H27N6O16P2+
Molecular Mass681.0953
SMILESNc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(=O)O)c4)C(O)C3O)C(O)C2O)c(=O)[nH]1
InChI KeyOFJFZTBGGIMLTA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyridine nucleotides
Subclass nicotinic acid nucleotides
Direct Parent nicotinic acid nucleotides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • hypoxanthines
  • imidazoles
  • lactams
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-substituted imidazoles
  • organic cations
  • organic oxides
  • organic pyrophosphates
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • primary amines
  • purine ribonucleoside diphosphates
  • purine ribonucleoside monophosphates
  • purines and purine derivatives
  • pyridine-3-carboxylic acids
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • lactam
  • carboxylic acid
  • amino acid or derivatives
  • pyridine-3-carboxylic acid
  • purine ribonucleoside monophosphate
  • monosaccharide
  • pentose-5-phosphate
  • imidazopyrimidine
  • saccharide
  • purine ribonucleoside diphosphate
  • organonitrogen compound
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • organic pyrophosphate
  • pyridine
  • monoalkyl phosphate
  • pyridine carboxylic acid
  • hypoxanthine
  • hydrocarbon derivative
  • primary amine
  • amine
  • pentose phosphate
  • amino acid
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • organic cation
  • azole
  • n-substituted imidazole
  • tetrahydrofuran
  • hydroxypyridine
  • nicotinic-acid-nucleotide
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound