DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:32:20 UTC
Update Date	2025-03-24 22:06:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01996087
Frequency	0.6
Structure
Chemical Formula	C₄₄H₆₇N₁₁O₁₄S₂
Molecular Mass	1037.431
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CO)C(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(C(C)CC)NC1=O
InChI Key	YVDWGBBTHZRCPL-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cyclic peptides fatty amides hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary alcohols primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative beta-hydroxy acid organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid hydroxy acid carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives 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 serine or derivatives organooxygen compound

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