DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:37:53 UTC
Update Date	2025-03-24 20:50:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01581481
Frequency	0.8
Structure
Chemical Formula	C₄₄H₆₂N₁₄O₁₁S₂
Molecular Mass	1026.4164
SMILES	N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=N)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC(=N)O)NC1=O
InChI Key	BGXFGMRYUVVVOU-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 amidines arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboximidic acids carboxylic acids cyclic peptides guanidines hydrocarbon derivatives imines lactams macrolactams monoalkylamines monocarboxylic acids and derivatives n-acylpyrrolidines organic disulfides organic oxides organopnictogen compounds secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound guanidine imine n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives amidine carboxylic acid derivative macrolactam organic oxide arginine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound polypeptide azacycle carboximidamide carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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