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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:42:33 UTC
Update Date2025-03-25 01:09:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02298453
Frequency0.5
Structure
Chemical FormulaC32H46N9O27P5
Molecular Mass1143.1191
SMILESNC(=O)C1=CN(C2OC(COP(=O)(O)OP3OCC4C=NC=C5OC(COP(=O)(O)OP(=O)(O)OCC6OC(n7cnc8c(N)ncnc87)C(O)C6O)C(O)N5C(O3)C(OP(=O)(O)O)C4O)C(O)C2O)C=CC1
InChI KeyBTWJFOZBMBVIFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyridine nucleotides
Subclass nicotinamide nucleotides
Direct Parent nicotinamide nucleotides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkanolamines
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dihydropyridines
  • enamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • imines
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • n-substituted nicotinamides
  • organic oxides
  • organic phosphites
  • organic pyrophosphates
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazolidines
  • pentose phosphates
  • primary amines
  • primary carboxylic acid amides
  • propargyl-type 1,3-dipolar organic compounds
  • purine ribonucleoside diphosphates
  • purine ribonucleoside monophosphates
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • amino acid or derivatives
  • purine ribonucleoside monophosphate
  • nicotinamide
  • monosaccharide
  • pentose-5-phosphate
  • nicotinamide-nucleotide
  • imidazopyrimidine
  • saccharide
  • purine ribonucleoside diphosphate
  • organonitrogen compound
  • dihydropyridine
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • organic pyrophosphate
  • oxazolidine
  • monoalkyl phosphate
  • hydrocarbon derivative
  • primary amine
  • amine
  • enamine
  • primary carboxylic acid amide
  • carbonyl group
  • pentose phosphate
  • imine
  • carboxylic acid derivative
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • imidolactam
  • alkanolamine
  • azole
  • n-substituted imidazole
  • organic phosphite
  • tetrahydrofuran
  • carboxamide group
  • n-substituted nicotinamide
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound