DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:20:41 UTC
Update Date	2025-03-24 16:47:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00964351
Frequency	1.5
Structure
Chemical Formula	C₄₆H₆₆N₁₂O₁₁S₂
Molecular Mass	1026.4415
SMILES	NCCCCC(=O)NC(CCC(N)=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1
InChI Key	AOPDPAVPYLDPNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives delta amino acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives lactams macrolactams monoalkylamines n-acyl amines n-acylpyrrolidines 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 fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound gamma amino acid or derivatives fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives pyrrolidine organoheterocyclic compound azacycle carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound organic disulfide hybrid peptide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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