DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:54:57 UTC
Update Date	2025-03-25 00:30:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02050128
Frequency	0.6
Structure
Chemical Formula	C₃₈H₅₁N₁₁O₁₁S₃
Molecular Mass	933.2932
SMILES	NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)NC(CS)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC1=O
InChI Key	NSXUWVGEMHNWBI-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 alkylthiols alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides cysteine and derivatives fatty amides hydrocarbon derivatives lactams macrolactams monoalkylamines n-acyl-alpha amino acids organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative macrolactam organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide organic disulfide cysteine or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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