DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:09:14 UTC
Update Date	2025-03-25 01:43:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02500625
Frequency	0.5
Structure
Chemical Formula	C₄₃H₅₇N₁₁O₁₁S₂
Molecular Mass	967.368
SMILES	NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)N2CCCC(N)C2=O)NC(=O)C(CC(N)=O)NC1=O
InChI Key	UGEZEUYZJSPYDY-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 acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides delta lactams dicarboximides fatty amides hydrocarbon derivatives macrolactams monoalkylamines n-acylpiperidines n-acylpyrrolidines n-substituted carboxylic acid imides organic disulfides organic oxides organonitrogen compounds organopnictogen compounds piperidinones primary carboxylic acid amides pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound piperidinone dicarboximide pyrrolidine piperidine carboxylic acid imide, n-substituted organoheterocyclic compound polypeptide alpha-amino acid amide azacycle carboxamide group carboxylic acid imide delta-lactam secondary carboxylic acid amide n-acyl-piperidine pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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