DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:25:00 UTC
Update Date	2025-03-25 01:50:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02537063
Frequency	0.5
Structure
Chemical Formula	C₅₆H₈₈N₁₆O₁₇S₂
Molecular Mass	1320.5955
SMILES	CCC(C)C(NC(=O)C1CNC(CC(N)=O)C(=O)NC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(C)CC)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)O
InChI Key	PZQKKJDYYUQRAM-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 amino acids azacyclic compounds benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids cyclic peptides dialkylamines hydrocarbon derivatives isoleucine and derivatives lactams leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety lactam carboxylic acid amino acid or derivatives alpha-amino acid or derivatives organonitrogen compound alpha-amino acid isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic disulfide phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide amine primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide leucine or derivatives tertiary carboxylic acid amide organopnictogen compound pyrrolidine proline or derivatives secondary amine carboxamide group n-acyl-amine beta amino acid or derivatives monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide benzenoid organic nitrogen compound organooxygen compound

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