DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:52 UTC
Update Date	2025-03-25 00:47:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164393
Frequency	0.5
Structure
Chemical Formula	C₂₄H₃₃N₇O₈S₂
Molecular Mass	611.1832
SMILES	CC(NC(=O)C1CSSCC(N)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(=O)N1)C(=O)O
InChI Key	JQRSEAUIOIPNNB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids cyclic peptides dicarboximides fatty amides hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives 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	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide ureide organoheterocyclic compound n-acyl-alpha amino acid or derivatives n-acyl urea polypeptide carbonic acid derivative azacycle n-acyl-alpha-amino acid carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide alanine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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