DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:01 UTC
Update Date	2025-03-25 01:02:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253934
Frequency	0.5
Structure
Chemical Formula	C₄₄H₅₇N₉O₉S₂
Molecular Mass	919.3721
SMILES	CC(C)CC(NC(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(=N)O)C(=O)N1)C(N)=O
InChI Key	SWBGORRUHVNKKT-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 alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids and derivatives cyclic peptides fatty amides hydrocarbon derivatives lactams leucine and derivatives macrolactams monoalkylamines n-acyl-alpha amino acids organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound fatty amide 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 azacycle n-acyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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