DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:27:54 UTC
Update Date	2025-03-24 22:05:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01985656
Frequency	0.6
Structure
Chemical Formula	C₆₄H₈₄N₁₈O₁₈S₂
Molecular Mass	1456.5652
SMILES	N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)C(CC(=N)O)NC1=O
InChI Key	AGHSEVXKOXZKJK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carboximidic acids carboxylic acids cyclic peptides heteroaromatic compounds hydrocarbon derivatives indoles lactams macrolactams monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carboximidic acid monocyclic benzene moiety lactam carboxylic acid alpha-amino acid or derivatives macrolactam organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic disulfide pyrrole phenol hydrocarbon derivative primary aliphatic amine 1,3-dicarbonyl compound pyrrolidine-2-carboxamide primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound indole fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide tertiary carboxylic acid amide organopnictogen compound pyrrolidine proline or derivatives indole or derivatives carboxamide group n-acyl-amine monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide benzenoid organic nitrogen compound organooxygen compound

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