DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:09:30 UTC
Update Date	2025-03-24 21:30:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01799889
Frequency	0.7
Structure
Chemical Formula	C₄₀H₅₄N₁₂O₁₂S₂
Molecular Mass	958.3426
SMILES	NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)NC(=O)CCC(N)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC1=O
InChI Key	RZIFIMKRIWEBQI-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 dicarboximides glutamine and derivatives hydrocarbon derivatives lactams macrolactams monoalkylamines n-acyl amines n-acyl-alpha amino acids n-unsubstituted carboxylic acid imides 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 glutamine or derivatives aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid carboxylic acid imide 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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