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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:14:15 UTC
Update Date2025-03-25 00:37:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02095860
Frequency0.6
Structure
Chemical FormulaC30H47N4O24P2+
Molecular Mass909.205
SMILESCC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC([n+]3cccc(C(N)=O)c3)C(O)C2O)OC(COC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)C(O)C1O
InChI KeyAWCAKAZUXRKDFO-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
  • acetamides
  • azacyclic compounds
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • ketals
  • methylpyridines
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • nicotinamides
  • organic cations
  • organic oxides
  • organic pyrophosphates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pentose phosphates
  • primary alcohols
  • primary carboxylic acid amides
  • pyran carboxylic acids
  • pyridinecarboxylic acids and derivatives
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • carboxylic acid
  • nicotinamide
  • monosaccharide
  • pentose-5-phosphate
  • pyran carboxylic acid
  • saccharide
  • acetal
  • ketal
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • pyridine nucleotide
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • organic pyrophosphate
  • secondary carboxylic acid amide
  • pyridine
  • monoalkyl phosphate
  • hydrocarbon derivative
  • primary carboxylic acid amide
  • carbonyl group
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • organopnictogen compound
  • organic cation
  • primary alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • hydroxypyridine
  • methylpyridine
  • carboxamide group
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • pyran
  • secondary alcohol
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound