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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:11 UTC
Update Date2025-03-25 00:48:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169704
Frequency0.5
Structure
Chemical FormulaC13H19NO9P+
Molecular Mass364.0792
SMILESCCc1c(C(=O)O)ccc[n+]1C1OC(COP(=O)(O)O)C(O)C1O
InChI KeyMJBWQHKEYFUZLM-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyridine nucleotides
Subclass nicotinic acid nucleotides
Direct Parent nicotinic acid nucleotides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 2-halopyridines
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • polyhalopyridines
  • pyridine-3-carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • monosaccharide
  • pentose-5-phosphate
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • vinylogous amide
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • 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