DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:15:21 UTC
Update Date	2025-03-25 00:37:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02098427
Frequency	0.6
Structure
Chemical Formula	C₄₂H₅₄N₁₂O₁₃S₂
Molecular Mass	998.3375
SMILES	NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)NC(=O)C2CCC(=O)N2)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC1=O
InChI Key	CBVXCEWVZFDZJS-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 fatty amides hydrocarbon derivatives lactams macrolactams monoalkylamines n-unsubstituted carboxylic acid imides organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl 2-pyrrolidone 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 carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine pyrrolidone organoheterocyclic compound proline or derivatives polypeptide alpha-amino acid amide azacycle carboxamide group carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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