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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:25 UTC
Update Date2025-03-25 00:53:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02197583
Frequency0.5
Structure
Chemical FormulaC28H46N10O6
Molecular Mass618.3602
SMILESCCC(C)C(NC(=O)C1CCCN1C(=O)C(N)CCCN=C(N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)O
InChI KeySPAKRQDZCRMNSL-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
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • isoleucine and derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • peptides
  • proline and derivatives
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolidine carboxylic acids
  • 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
  • pyrrolidine carboxylic acid
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • isoleucine or derivatives
  • 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
  • n-acyl-amine
  • n-substituted-alpha-amino acid
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • organooxygen compound