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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:09 UTC
Update Date2025-03-21 18:33:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098423
Frequency28.0
Structure
Chemical FormulaC16H23N5O4
Molecular Mass349.175
SMILESCN1CCN(c2ccnc3c2ncn3C2OC(CO)C(O)C2O)CC1
InChI KeyLBMLIJXWEPLSGS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent pyridinylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aminopyridines and derivatives
  • azacyclic compounds
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidazoles
  • imidazopyridines
  • methylpyridines
  • monosaccharides
  • n-arylpiperazines
  • n-methylpiperazines
  • n-substituted imidazoles
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • trialkylamines
    • Substituents
  • polyhalopyridine
  • monosaccharide
  • imidazopyridine
  • saccharide
  • aromatic heteropolycyclic compound
  • imidazole
  • tertiary aliphatic/aromatic amine
  • pyridinylpiperazine
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • primary alcohol
  • aminopyridine
  • tertiary amine
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • tetrahydrofuran
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • n-methylpiperazine
  • methylpyridine
  • oxacycle
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound