DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 02:27:14 UTC
Update Date	2025-03-21 20:56:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00407406
Frequency	4.5
Structure
Chemical Formula	C₄₂H₆₄N₁₄O₁₃S₂
Molecular Mass	1036.4219
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC(=N)O)NC(=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	FBWJOJUCMXYCPC-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 arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboximidic acids carboxylic acids cyclic peptides dicarboximides fatty amides guanidines hydrocarbon derivatives imines lactams monoalkylamines monocarboxylic acids and derivatives n-acyl ureas n-acyl-alpha amino acids n-acylpyrrolidines organic carbonic acids and derivatives organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carboximidic acid monocyclic benzene moiety lactam carboxylic acid alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives n-acyl urea polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic disulfide phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound guanidine imine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide arginine or derivatives tertiary carboxylic acid amide organopnictogen compound dicarboximide pyrrolidine ureide proline or derivatives carbonic acid derivative carboximidamide carboxamide group monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide benzenoid organic nitrogen compound organooxygen compound

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