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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:50 UTC
Update Date2025-03-25 00:46:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155444
Frequency0.5
Structure
Chemical FormulaC10H13N3O3
Molecular Mass223.0957
SMILESCc1ncc(CNC(=O)CN)c(C=O)c1O
InChI KeySRSFPROETRRIHQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alpha amino acids
  • aryl-aldehydes
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridine carboxaldehydes
  • pyridinecarboxylic acids and derivatives
  • secondary carboxylic acid amides
  • vinylogous acids
  • Substituents
  • pyridine carboxylic acid or derivatives
  • carbonyl group
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • organic oxide
  • aryl-aldehyde
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 2-halopyridine
  • organoheterocyclic compound
  • alpha-amino acid amide
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • aldehyde
  • carboxamide group
  • 4-pyridine carboxaldehyde
  • secondary carboxylic acid amide
  • vinylogous acid
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound