DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:26:07 UTC
Update Date	2025-03-24 21:38:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01839242
Frequency	0.7
Structure
Chemical Formula	C₄₂H₆₄N₁₄O₁₃S₂
Molecular Mass	1036.4219
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2C(=O)NCC2C(=O)NC(CCCCN)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	OZHJPBRVCOMAKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	oligopeptides
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 beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides dicarboximides hydrocarbon derivatives imidazolidinones lactams monoalkylamines n-acyl amines n-acyl ureas n-acyl-alpha amino acids organic carbonic acids and derivatives organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	imidazolidine 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 imidazolidinone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide ureide organoheterocyclic compound n-acyl-alpha amino acid or derivatives n-acyl urea carbonic acid derivative alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-acyl-amine beta amino acid or derivatives n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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