DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:35:37 UTC
Update Date	2025-03-24 22:16:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01143136
Frequency	1.2
Structure
Chemical Formula	C₄₉H₇₃N₁₅O₁₁S₂
Molecular Mass	1111.5055
SMILES	CC(C)CC(N)C(=O)NC(CCCNC(=N)N)NC(=O)C1CCCN1C(=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	PLLDGBWAOWUOPH-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 carboximidamides carboximidic acids carboxylic acids and derivatives cyclic peptides guanidines hydrocarbon derivatives imines lactams leucine and derivatives macrolactams monoalkylamines n-acyl amines n-acylpyrrolidines organic disulfides organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound guanidine imine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam organic oxide leucine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound proline or derivatives polypeptide alpha-amino acid amide azacycle carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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