DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:43:43 UTC
Update Date	2025-03-25 01:09:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02301130
Frequency	0.5
Structure
Chemical Formula	C₄₂H₅₈N₁₀O₁₂S₂
Molecular Mass	958.3677
SMILES	CC(C)CC(NC(=O)C(C)NC(=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)C(=O)O
InChI Key	AZGHCLRJQQMDJD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids cyclic peptides hydrocarbon derivatives lactams leucine and derivatives macrolactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic disulfides organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide alanine or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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