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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:49 UTC
Update Date2025-03-25 00:46:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155426
Frequency0.5
Structure
Chemical FormulaC8H11N3O4
Molecular Mass213.075
SMILESCc1ncc(CO[N+](=O)[O-])c(CN)c1O
InChI KeyDQOGDNZEOCEVKI-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
  • alkyl nitrates
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkylamines
  • nitrate esters
  • organic nitro compounds
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • allyl-type 1,3-dipolar organic compound
  • organic nitro compound
  • organic oxide
  • alkyl nitrate
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic nitric acid or derivatives
  • azacycle
  • organic nitrate
  • nitrate ester
  • heteroaromatic compound
  • hydroxypyridine
  • organic 1,3-dipolar compound
  • pyridoxamine 5'-phosphate
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite