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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:41 UTC
Update Date2025-03-25 00:46:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152716
Frequency0.5
Structure
Chemical FormulaC11H14N4O6
Molecular Mass298.0913
SMILESN=C(N)Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)o1
InChI KeyYXOUGLHPILSQIO-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 heteromonocyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • alpha amino acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • furoic acid and derivatives
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imines
  • n-acyl-alpha amino acids
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • Substituents
  • furan
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • guanidine
  • imine
  • 2-heteroaryl carboxamide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • furoic acid or derivatives
  • n-acyl-alpha-amino acid
  • heteroaromatic compound
  • glutamic acid or derivatives
  • carboximidamide
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound