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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:53 UTC
Update Date2025-03-25 01:01:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249127
Frequency0.5
Structure
Chemical FormulaC21H32N6O5
Molecular Mass448.2434
SMILESCOc1ccc(CC(NC(=O)C2CCCN2C(=O)C(N)CCCNC(=N)N)C(=O)O)cc1
InChI KeyOQQACGHZEUUTIS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alpha amino acid amides
  • alpha amino acids
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • guanidines
  • hydrocarbon derivatives
  • imines
  • methoxybenzenes
  • methoxylated amphetamines
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • peptides
  • phenoxy compounds
  • phenylalanine and derivatives
  • phenylpropanoic acids
  • proline and derivatives
  • pyrrolidinecarboxamides
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • guanidine
  • imine
  • n-acylpyrrolidine
  • alpha-amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • alpha peptide
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • amphetamine or derivatives
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • proline or derivatives
  • polypeptide
  • alpha-amino acid amide
  • azacycle
  • n-acyl-alpha-amino acid
  • methoxylated amphetamine
  • carboximidamide
  • carboxamide group
  • methoxybenzene
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • phenylalanine or derivatives
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • phenoxy compound
  • organooxygen compound