DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:57:53 UTC
Update Date	2025-03-24 20:32:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01484485
Frequency	0.9
Structure
Chemical Formula	C₃₉H₄₉N₉O₁₁S₂
Molecular Mass	883.2993
SMILES	CC(=O)C1CCC(=O)N1C(=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
InChI Key	MBBRUGZSYYILQC-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 carboxylic acids and derivatives cyclic peptides dicarboximides fatty amides hydrocarbon derivatives ketones lactams macrolactams monoalkylamines n-acylpyrrolidines n-substituted carboxylic acid imides organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides pyrrolidine-2-ones secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl 2-pyrrolidone 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 ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine carboxylic acid imide, n-substituted pyrrolidone organoheterocyclic compound polypeptide azacycle carboxamide group carboxylic acid imide secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID01484485