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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:50:53 UTC
Update Date2025-03-25 00:26:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01325345
Frequency1.0
Structure
Chemical FormulaC50H62N12O12S2
Molecular Mass1086.4052
SMILESN=C(N)NCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CC(=O)O)C(=O)N1)C(=O)O
InChI KeyFEQJWVVYNDTDGN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alpha amino acid amides
  • alpha amino acids
  • arginine and derivatives
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • cyclic peptides
  • dicarboxylic acids and derivatives
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imines
  • indoles
  • lactams
  • macrolactams
  • monoalkylamines
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic disulfides
  • organic oxides
  • organopnictogen compounds
  • proline and derivatives
  • pyrroles
  • pyrrolidinecarboxamides
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • indole
  • guanidine
  • imine
  • n-acylpyrrolidine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • macrolactam
  • organic oxide
  • arginine or derivatives
  • 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
  • heteroaromatic compound
  • indole or derivatives
  • carboximidamide
  • carboxamide group
  • secondary carboxylic acid amide
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • cyclic alpha peptide
  • organic disulfide
  • pyrrole
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • organooxygen compound