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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:17 UTC
Update Date2025-03-21 17:58:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00013814
Frequency321.8
Structure
Chemical FormulaC8H13N2O4P
Molecular Mass232.0613
SMILESCc1ncc(CO[PH](=O)O)c(CN)c1O
InChI KeyAKLJGULILICQJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridoxamines
Direct Parent pyridoxamine 5'-phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • phosphate esters
  • polyhalopyridines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • pyridoxamine 5'-phosphate
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • organooxygen compound