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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:35:07 UTC
Update Date2025-03-21 17:56:52 UTC
HMDB IDHMDB0060442
Metabolite Identification
DeepMet IDDMID00004147
Namebeta-Alanyl-L-lysine
Frequency1379.1
Structure
Chemical FormulaC9H19N3O3
Molecular Mass217.1426
SMILESNCCCCC(NC(=O)CCN)C(=O)O
InChI KeyPLDCWKCPEXNWJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass hybrid peptides
Direct Parent hybrid peptides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • amino fatty acids
  • beta amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • n-acyl-alpha amino acid or derivatives
  • n-acyl-alpha-amino acid
  • carboxamide group
  • amino fatty acid
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hybrid peptide
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound