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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:50 UTC
Update Date2025-03-25 00:51:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184941
Frequency0.5
Structure
Chemical FormulaC21H30N6O5
Molecular Mass446.2278
SMILESN=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)NC(CC(=O)c1ccccc1)C(=O)O
InChI KeyNPSZOHGRRADMSO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl-phenylketones
  • alpha amino acid amides
  • alpha amino acids
  • aryl alkyl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • butyrophenones
  • carboximidamides
  • carboxylic acids
  • gamma-keto acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • imines
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • peptides
  • proline and derivatives
  • pyrrolidinecarboxamides
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • guanidine
  • imine
  • n-acylpyrrolidine
  • benzoyl
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • alpha peptide
  • ketone
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • proline or derivatives
  • polypeptide
  • alpha-amino acid amide
  • azacycle
  • n-acyl-alpha-amino acid
  • carboximidamide
  • carboxamide group
  • phenylketone
  • gamma-keto acid
  • butyrophenone
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • keto acid
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone