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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:43:03 UTC
Update Date2025-03-24 20:52:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01593291
Frequency0.8
Structure
Chemical FormulaC56H76N14O15S2
Molecular Mass1248.5056
SMILESCOc1cc(CC2NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(N)CSSCC(C(=O)N3CCCC3C(=O)NC(CCCCN)C(=O)NCC(N)=O)NC(=O)C(CC(=N)O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc3ccccc3)NC2=O)ccc1O
InChI KeyIJEUCNNJVDYEIL-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
  • alkyl aryl ethers
  • alpha amino acid amides
  • alpha amino acids
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids and derivatives
  • cyclic peptides
  • hydrocarbon derivatives
  • lactams
  • macrolactams
  • methoxybenzenes
  • methoxyphenols
  • monoalkylamines
  • n-acyl amines
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic disulfides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • primary carboxylic acid amides
  • proline and derivatives
  • pyrrolidinecarboxamides
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • phenol ether
  • carboximidic acid
  • monocyclic benzene moiety
  • lactam
  • methoxyphenol
  • alpha-amino acid or derivatives
  • macrolactam
  • organonitrogen compound
  • alpha-amino acid
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • polypeptide
  • alpha-amino acid amide
  • azacycle
  • n-acyl-alpha-amino acid
  • methoxybenzene
  • n-substituted-alpha-amino acid
  • secondary carboxylic acid amide
  • pyrrolidine carboxylic acid or derivatives
  • anisole
  • organic disulfide
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • pyrrolidine-2-carboxamide
  • phenoxy compound
  • primary carboxylic acid amide
  • fatty acyl
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • fatty amide
  • n-acylpyrrolidine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organopnictogen compound
  • pyrrolidine
  • proline or derivatives
  • carboxamide group
  • n-acyl-amine
  • organic oxygen compound
  • cyclic alpha peptide
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound