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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:49 UTC
Update Date2025-03-21 18:36:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112300
Frequency23.6
Structure
Chemical FormulaC13H28N6O3
Molecular Mass316.2223
SMILESN=C(N)NCCCCC(NC(=O)C(N)CCCCN)C(=O)O
InChI KeySEWFIBLYPYAXMG-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
  • alpha amino acid amides
  • alpha amino acids
  • amino fatty acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • guanidines
  • hydrocarbon derivatives
  • imines
  • medium-chain fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • n-acyl-alpha amino acids
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • guanidine
  • imine
  • fatty amide
  • fatty acid
  • alpha-amino acid or derivatives
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • n-acyl-alpha amino acid or derivatives
  • alpha-amino acid amide
  • n-acyl-alpha-amino acid
  • carboximidamide
  • carboxamide group
  • amino fatty acid
  • n-acyl-amine
  • alpha-dipeptide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound