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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:02:21 UTC
Update Date2025-03-24 20:08:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01352802
Frequency1.0
Structure
Chemical FormulaC41H54N10O12S4
Molecular Mass1006.2806
SMILESN=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)O)NC(=O)C(CC(=N)O)NC1=O
InChI KeyKZUJELLCHBGVNM-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 acids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • cyclic peptides
  • hydrocarbon derivatives
  • lactams
  • macrolactams
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic disulfides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • proline and derivatives
  • pyrrolidine carboxylic acids
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
  • thiocarboxylic acids and derivatives
  • thiolactones
    • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • n-acylpyrrolidine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • macrolactam
  • organic oxide
  • pyrrolidine carboxylic acid
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • thiolactone
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • proline or derivatives
  • thiocarboxylic acid or derivatives
  • polypeptide
  • azacycle
  • n-acyl-alpha-amino acid
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • cyclic alpha peptide
  • organic disulfide
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound