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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:51 UTC
Update Date2025-03-25 00:52:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194009
Frequency0.5
Structure
Chemical FormulaC19H24FN5O6
Molecular Mass437.1711
SMILESCN1CCN(c2nc3c(cc2F)c(=O)c(C(N)=O)cn3C2OC(CO)C(O)C2O)CC1
InChI KeyQBKSNXYPMTZMHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent pyridinylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • amino acids and derivatives
  • aminopyridines and derivatives
  • aryl fluorides
  • azacyclic compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • fluoroquinolones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • methylpyridines
  • monosaccharides
  • n-arylpiperazines
  • n-methylpiperazines
  • naphthyridines
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • primary alcohols
  • primary carboxylic acid amides
  • pyridinecarboxylic acids and derivatives
  • secondary alcohols
  • tetrahydrofurans
  • trialkylamines
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • amino acid or derivatives
  • monosaccharide
  • saccharide
  • diazanaphthalene
  • organonitrogen compound
  • fluoroquinolone
  • alcohol
  • vinylogous amide
  • naphthyridine
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • aryl halide
  • pyridine
  • hydrocarbon derivative
  • amine
  • aryl fluoride
  • primary carboxylic acid amide
  • polyhalopyridine
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyridinylpiperazine
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • primary alcohol
  • imidolactam
  • aminopyridine
  • tertiary amine
  • tetrahydrofuran
  • organofluoride
  • hydroxypyridine
  • n-methylpiperazine
  • methylpyridine
  • carboxamide group
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • organic nitrogen compound
  • n-arylpiperazine
  • organooxygen compound