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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:38:56 UTC
Update Date2025-03-24 20:50:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01583922
Frequency0.8
Structure
Chemical FormulaC47H60N10O13S3
Molecular Mass1068.3503
SMILESCSCCC(NC(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)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)C(=O)O
InChI KeyBBUOPGXQGOFRLX-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
  • dialkylthioethers
  • fatty acyls
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • lactams
  • macrolactams
  • methionine and derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • organic disulfides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • thia fatty acids
    • Substituents
  • fatty acyl
  • carboximidic acid
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • macrolactam
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydroxy fatty acid
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • polypeptide
  • sulfenyl compound
  • azacycle
  • n-acyl-alpha-amino acid
  • dialkylthioether
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • organic oxygen compound
  • cyclic alpha peptide
  • thioether
  • organic disulfide
  • methionine or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound