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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:05:26 UTC
Update Date2025-03-21 19:03:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00216981
Frequency10.1
Structure
Chemical FormulaC41H54N10O12S2
Molecular Mass942.3364
SMILESCC(O)C(=O)NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(=N)O)C(=O)NC(CC(=N)O)C(=O)N1
InChI KeyLWEGWHPKLQINAY-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
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids and derivatives
  • cyclic peptides
  • dicarboximides
  • hydrocarbon derivatives
  • lactams
  • macrolactams
  • monoalkylamines
  • n-acylpyrrolidines
  • n-unsubstituted carboxylic acid imides
  • organic disulfides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • proline and derivatives
  • pyrrolidinecarboxamides
  • secondary alcohols
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • n-acylpyrrolidine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • macrolactam
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • dicarboximide
  • pyrrolidine
  • organoheterocyclic compound
  • proline or derivatives
  • alcohol
  • polypeptide
  • alpha-amino acid amide
  • azacycle
  • carboxamide group
  • carboxylic acid imide
  • secondary carboxylic acid amide
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • cyclic alpha peptide
  • organic disulfide
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • organooxygen compound