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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:48 UTC
Update Date2025-03-21 18:28:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00073687
Frequency68.0
Structure
Chemical FormulaC19H28N6O6
Molecular Mass436.207
SMILESNC(N)=NCCCC(NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI KeyMRQQMVZUHXUPEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • amphetamines and derivatives
  • aspartic acid and derivatives
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • monoalkylamines
  • n-acyl amines
  • n-acyl-alpha amino acids
  • organic oxides
  • organopnictogen compounds
  • peptides
  • phenylalanine and derivatives
  • phenylpropanoic acids
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • guanidine
  • fatty amide
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • alpha peptide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • amphetamine or derivatives
  • n-acyl-alpha amino acid or derivatives
  • polypeptide
  • alpha-amino acid amide
  • n-acyl-alpha-amino acid
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxamide group
  • n-acyl-amine
  • n-substituted-alpha-amino acid
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • phenylalanine or derivatives
  • organic oxygen compound
  • aspartic acid or derivatives
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound