DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:51:13 UTC
Update Date	2025-03-25 01:36:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02458194
Frequency	0.5
Structure
Chemical Formula	C₄₀H₆₀N₁₄O₁₃S₂
Molecular Mass	1008.3906
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2C(=O)NCC2C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	RXCHGKQQAVMKCY-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 acids arginine and derivatives azacyclic compounds benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboximidamides carboxylic acids cyclic peptides dicarboximides fatty amides guanidines hydrocarbon derivatives imidazolidinones imines lactams monoalkylamines monocarboxylic acids and derivatives n-acyl ureas n-acyl-alpha amino acids organic carbonic acids and derivatives organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	imidazolidine primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives imidazolidinone organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide ureide organoheterocyclic compound n-acyl-alpha amino acid or derivatives n-acyl urea carbonic acid derivative azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

Showing information for DMID02458194