DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:00:16 UTC
Update Date	2025-03-24 16:36:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00914978
Frequency	1.6
Structure
Chemical Formula	C₄₂H₅₂N₁₀O₁₁S₂
Molecular Mass	936.3258
SMILES	NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)NC(Cc2ccc(O)cc2)C(N)=O)NC(=O)C(CC(N)=O)NC1=O
InChI Key	KTAPHOXZVKOKTN-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 acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides fatty amides hydrocarbon derivatives lactams macrolactams monoalkylamines n-acyl-alpha amino acids organic disulfides organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides secondary carboxylic acid amides tyrosine and derivatives
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 carboxylic acid derivative macrolactam organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives azacycle n-acyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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