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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:01 UTC
Update Date2025-03-25 00:50:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180844
Frequency0.5
Structure
Chemical FormulaC16H18N4O5
Molecular Mass346.1277
SMILESO=C(O)CCC(NC(=O)c1ccc(N2CC3CN=C3N2)cc1)C(=O)O
InChI KeySAVWTJQAAFHKSK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent glutamic acid and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • amidines
  • amidrazones
  • azacyclic compounds
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hippuric acids and derivatives
  • hydrocarbon derivatives
  • imidolactams
  • n-acyl-alpha amino acids
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrazolidines
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • amidine
  • benzamide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • pyrazolidine
  • azacycle
  • n-acyl-alpha-amino acid
  • hippuric acid or derivatives
  • benzoic acid or derivatives
  • organic 1,3-dipolar compound
  • glutamic acid or derivatives
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • carboxylic acid amidrazone
  • organooxygen compound