DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:59:49 UTC
Update Date	2025-03-25 01:16:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02338926
Frequency	0.5
Structure
Chemical Formula	C₄₇H₆₉N₁₃O₁₀S₂
Molecular Mass	1039.4732
SMILES	CC(C)CC(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)N1CCCC1C(=O)NC(=O)CCCNC(=N)N
InChI Key	MVNAWTYYKRNKOT-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 carboxylic acids and derivatives cyclic peptides dicarboximides gamma amino acids and derivatives guanidines hydrocarbon derivatives imines lactams macrolactams monoalkylamines n-acyl amines n-alkylpyrrolidines n-unsubstituted carboxylic acid imides organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides trialkylamines
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound amino acid or derivatives gamma amino acid or derivatives guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives polypeptide alpha-amino acid amide azacycle n-alkylpyrrolidine tertiary aliphatic amine carboximidamide carboxamide group n-acyl-amine carboxylic acid imide 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 amine organooxygen compound

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