DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:26:03 UTC
Update Date	2025-03-24 21:38:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01839090
Frequency	0.7
Structure
Chemical Formula	C₄₃H₆₅N₁₁O₁₅S₂
Molecular Mass	1039.4103
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC2OC(CO)C(O)C(O)C2NC(C)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	WKAGAOLUFRSOQQ-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 acetamides alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides fatty acyl glycosides fatty amides hydrocarbon derivatives lactams monoalkylamines monosaccharides n-acylpyrrolidines organic disulfides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound oxane pyrrolidine primary alcohol organoheterocyclic compound acetamide proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle fatty n-acyl glycoside carboxamide group oxacycle secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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