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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:31:43 UTC
Update Date2025-03-25 01:28:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02412786
Frequency0.5
Structure
Chemical FormulaC45H62N10O12S3
Molecular Mass1030.3711
SMILESCC(C)CC(NC(=O)C1CCCN1C(=O)C1CSSCSCC(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)C(=O)O
InChI KeyAQNRQPLIKRMNND-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
  • cyclic peptides
  • dialkylthioethers
  • hydrocarbon derivatives
  • lactams
  • leucine and derivatives
  • macrolactams
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic disulfides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • proline and derivatives
  • pyrrolidinecarboxamides
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • 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
  • leucine 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
  • dialkylthioether
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • cyclic alpha peptide
  • thioether
  • organic disulfide
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • organooxygen compound