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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:49 UTC
Update Date2025-03-25 00:50:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178149
Frequency0.5
Structure
Chemical FormulaC10H15N3O2
Molecular Mass209.1164
SMILESCc1ncc(CC(N)C(N)=O)c(C)c1O
InChI KeySJNXKVHNDJCWMG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • carbonyl group
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • fatty amide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 2-halopyridine
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • carboxamide group
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound