DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:37:15 UTC
Update Date	2025-03-24 21:42:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01865917
Frequency	0.7
Structure
Chemical Formula	C₃₈H₅₇N₁₁O₁₄S₄
Molecular Mass	1019.2969
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)NC(CSSCC(N)C(=O)NCC(=O)O)C(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	BRDDNDMHGUAUJK-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 acyl glycines alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids cyclic peptides cysteine and derivatives dialkyldisulfides dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives lactams monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-acylglycine secondary carboxylic acid amide dialkyldisulfide organic oxygen compound cyclic alpha peptide organic disulfide cysteine or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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