DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:06:22 UTC
Update Date	2025-03-24 21:29:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01792261
Frequency	0.7
Structure
Chemical Formula	C₄₈H₇₁N₁₁O₁₀S₂
Molecular Mass	1025.4827
SMILES	CC(C)CC(N)C(=O)NC(CC(C)C)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	GUPHHPDLIOEXCW-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 carbonyl compounds carboxylic acids and derivatives cyclic peptides hydrocarbon derivatives lactams leucine and derivatives 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 fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam organic oxide leucine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound polypeptide alpha-amino acid amide azacycle carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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