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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:31 UTC
Update Date2025-03-21 18:37:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116448
Frequency22.6
Structure
Chemical FormulaC20H27N3O20P3+
Molecular Mass722.0395
SMILESO=C(O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)c1
InChI KeyQCISTFCYWWJTPD-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
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • nicotinic acid nucleotides
  • organic carbonic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • pyridine-3-carboxylic acids
  • pyrimidine ribonucleoside triphosphates
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • pyrimidine ribonucleoside triphosphate
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pyridine-3-carboxylic acid
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organoheterocyclic compound
  • pyridine nucleotide
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • nicotinic-acid-nucleotide
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyridine carboxylic acid
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound