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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:07 UTC
Update Date2025-03-25 01:00:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242692
Frequency0.5
Structure
Chemical FormulaC18H23N5O7
Molecular Mass421.1597
SMILESCC(=O)N1CCN(c2c(C(=O)O)cnc3c2ncn3C2OC(CO)C(O)C2O)CC1
InChI KeyXFDBSCNRIYXTNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent pyridinylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 2-halopyridines
  • acetamides
  • amino acids
  • aminopyridines and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidazoles
  • imidazopyridines
  • methylpyridines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-arylpiperazines
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • primary alcohols
  • pyridine-3-carboxylic acids
  • secondary alcohols
  • tertiary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • carboxylic acid
  • amino acid or derivatives
  • pyridine-3-carboxylic acid
  • monosaccharide
  • imidazopyridine
  • saccharide
  • organonitrogen compound
  • 1-carboxy-2-haloaromatic compound
  • acetamide
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • pyridine
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • amine
  • carbonyl group
  • amino acid
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • tertiary aliphatic/aromatic amine
  • pyridinylpiperazine
  • tertiary carboxylic acid amide
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • primary alcohol
  • aminopyridine
  • tertiary amine
  • azole
  • n-substituted imidazole
  • tetrahydrofuran
  • hydroxypyridine
  • methylpyridine
  • carboxamide group
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • organic nitrogen compound
  • n-arylpiperazine
  • organooxygen compound