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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:30 UTC
Update Date2025-03-21 18:35:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104216
Frequency26.0
Structure
Chemical FormulaC9H13N3O6
Molecular Mass259.0804
SMILESCC(O)C(NC(=O)C1CC(=O)NC(=O)N1)C(=O)O
InChI KeyCUURTKPJLDFBRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent dipeptides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • diazinanes
  • dicarboximides
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • n-acyl ureas
  • n-acyl-alpha amino acids
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrimidones
  • secondary alcohols
  • secondary carboxylic acid amides
  • short-chain hydroxy acids and derivatives
  • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • fatty acid
  • pyrimidone
  • alpha-amino acid or derivatives
  • pyrimidine
  • 1,3-diazinane
  • beta-hydroxy acid
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydroxy fatty acid
  • dicarboximide
  • ureide
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • n-acyl urea
  • carbonic acid derivative
  • alpha-amino acid amide
  • azacycle
  • n-acyl-alpha-amino acid
  • hydroxy acid
  • carboxamide group
  • alpha-dipeptide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound