DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:34:12 UTC
Update Date	2025-03-24 21:41:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01858738
Frequency	0.7
Structure
Chemical Formula	C₄₃H₅₈N₁₀O₁₁S₂
Molecular Mass	954.3728
SMILES	NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)N2CCCC(O)C2)NC(=O)C(CC(N)=O)NC1=O
InChI Key	XEAZQBHTZADFDG-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 fatty amides hydrocarbon derivatives lactams macrolactams monoalkylamines n-acylpiperidines n-acylpyrrolidines organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides pyrrolidinecarboxamides secondary alcohols 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 pyrrolidine piperidine organoheterocyclic compound alcohol polypeptide alpha-amino acid amide azacycle carboxamide group secondary carboxylic acid amide n-acyl-piperidine pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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