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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:31 UTC
Update Date2025-03-21 18:37:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00114003
Frequency23.2
Structure
Chemical FormulaC20H28N5O11P
Molecular Mass545.1523
SMILESNC(=O)C1=CN(C2OC(COP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3O)C(O)C2O)C=CC1
InChI KeyOQJKGSIMUKMZBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyridine nucleotides
Subclass nicotinamide nucleotides
Direct Parent nicotinamide nucleotides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl phosphates
  • dihydropyridines
  • enamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monosaccharides
  • n-substituted nicotinamides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • primary amines
  • primary carboxylic acid amides
  • pyrimidine 2'-deoxyribonucleoside monophosphates
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • amino acid or derivatives
  • nicotinamide
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • nicotinamide-nucleotide
  • carboxylic acid derivative
  • pyrimidine
  • pyrimidine 2'-deoxyribonucleoside monophosphate
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • dihydropyridine
  • imidolactam
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • carboxamide group
  • n-substituted nicotinamide
  • oxacycle
  • dialkyl phosphate
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound
  • enamine