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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:29 UTC
Update Date2025-03-25 00:46:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154634
Frequency0.5
Structure
Chemical FormulaC11H17N3O7
Molecular Mass303.1066
SMILESCC(=O)N(CC(=O)O)CC(=O)NC(CCC(N)=O)C(=O)O
InChI KeyWROSODYNNCEXFA-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 acyclic compounds
Alternative Parents
  • acetamides
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acids and conjugates
  • fatty amides
  • glutamine and derivatives
  • hydrocarbon derivatives
  • n-acyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • glutamine or derivatives
  • fatty amide
  • fatty acid
  • alpha-amino acid or derivatives
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • acetamide
  • n-acyl-alpha amino acid or derivatives
  • n-acyl-alpha-amino acid
  • carboxamide group
  • alpha-dipeptide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound