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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:49 UTC
Update Date2025-03-25 00:54:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205412
Frequency0.5
Structure
Chemical FormulaC21H33N9O7
Molecular Mass523.2503
SMILESNC(N)=NCCCC(NC(=O)C1CCCN1C(=O)C(CC(=O)O)NC(=O)C(N)Cc1cnc[nH]1)C(=O)O
InChI KeyPHFPBCHTPVSZNB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty amides
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkylamines
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • peptides
  • proline and derivatives
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolidinecarboxamides
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • guanidine
  • fatty amide
  • n-acylpyrrolidine
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • alpha peptide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • imidazole
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • azole
  • n-acyl-alpha amino acid or derivatives
  • proline or derivatives
  • polypeptide
  • alpha-amino acid amide
  • azacycle
  • n-acyl-alpha-amino acid
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxamide group
  • secondary carboxylic acid amide
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • organooxygen compound