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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:39 UTC
Update Date2025-03-21 18:37:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116792
Frequency22.5
Structure
Chemical FormulaC20H27N4O16P2+
Molecular Mass641.0892
SMILESNc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(=O)O)c4)C(O)C3O)C(O)C2O)c(=O)n1
InChI KeyIXLCHYQFTUCCSO-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyridine nucleotides
Subclass pyridine nucleotides
Direct Parent pyridine nucleotides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • nicotinic acid nucleotides
  • organic carbonic acids and derivatives
  • organic cations
  • organic oxides
  • organic pyrophosphates
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • primary amines
  • pyridine-3-carboxylic acids
  • pyrimidine ribonucleoside diphosphates
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • amino acid or derivatives
  • amino acid
  • pyridine-3-carboxylic acid
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • imidolactam
  • organoheterocyclic compound
  • pyridine nucleotide
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • nicotinic-acid-nucleotide
  • organic pyrophosphate
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyrimidine ribonucleoside diphosphate
  • pyridine
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyridine carboxylic acid
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound