DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:04:03 UTC
Update Date	2025-03-25 01:17:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02348728
Frequency	0.5
Structure
Chemical Formula	C₃₉H₅₄N₁₂O₁₁S₂
Molecular Mass	930.3476
SMILES	NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)NC(=O)CCCNC(N)C(N)=O)NC(=O)C(CC(N)=O)NC1=O
InChI Key	WCBYJUUWYVRTOW-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 azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides dialkylamines dicarboximides gamma amino acids and derivatives hydrocarbon derivatives lactams macrolactams monoalkylamines n-acyl amines n-unsubstituted carboxylic acid imides organic disulfides organic oxides 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 amino acid or derivatives gamma amino acid or derivatives 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 secondary aliphatic amine polypeptide azacycle secondary amine 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 amine

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