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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:22:34 UTC
Update Date2025-03-24 21:36:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01830906
Frequency0.7
Structure
Chemical FormulaC31H39N11O21P3+
Molecular Mass994.1529
SMILESNc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OP(=O)(O)OCC2OC([n+]3cccc(C(=O)O)c3)C(O)C2O)C(O)C1O
InChI KeyQSEDAOWAILGISW-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
  • imidazoles
  • imidolactams
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-substituted imidazoles
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • primary amines
  • purine ribonucleoside monophosphates
  • purine ribonucleoside triphosphates
  • purines and purine derivatives
  • pyridine-3-carboxylic acids
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • carboxylic acid
  • amino acid or derivatives
  • pyridine-3-carboxylic acid
  • purine ribonucleoside monophosphate
  • monosaccharide
  • pentose-5-phosphate
  • imidazopyrimidine
  • saccharide
  • organonitrogen compound
  • purine ribonucleoside triphosphate
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • pyridine
  • monoalkyl phosphate
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • primary amine
  • amine
  • pentose phosphate
  • amino acid
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • organic cation
  • imidolactam
  • 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