DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:27:41 UTC
Update Date	2025-03-24 22:05:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01985123
Frequency	0.6
Structure
Chemical Formula	C₄₇H₆₄N₁₄O₁₁S₂
Molecular Mass	1064.432
SMILES	NCCCCC1C(=O)NC(C(=O)NCC(N)=O)CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2cnc[nH]2)C(=O)NC(Cc2ccccc2)C(=O)NC(CC(N)=O)C(=O)N1
InChI Key	AIMSMCPFJXOWOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	oligopeptides
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 carboxylic acids and derivatives cyclic peptides heteroaromatic compounds hydrocarbon derivatives imidazoles lactams monoalkylamines n-acyl-alpha amino acids organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide imidazole tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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