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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:32 UTC
Update Date2025-03-25 00:51:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184243
Frequency0.5
Structure
Chemical FormulaC9H13N3O7
Molecular Mass275.0754
SMILESNC(CCC(=O)NC(=NCC(=O)O)C(=O)O)C(=O)O
InChI KeyWSWYXQVSLQUPEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent glutamine and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • n-acyl amines
  • n-acyl-alpha amino acids
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tricarboxylic acids and derivatives
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • glutamine or derivatives
  • n-acyl-alpha-amino acid
  • tricarboxylic acid or derivatives
  • organic 1,3-dipolar compound
  • carboximidamide
  • n-acyl-amine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • n-acyl-alpha amino acid or derivatives