DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 02:10:58 UTC
Update Date	2025-03-21 20:49:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00368871
Frequency	5.1
Structure
Chemical Formula	C₄₀H₅₈N₁₂O₁₄S₂
Molecular Mass	994.3637
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(=O)C(O)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	XMPWIXIZVCLOQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carboxylic acids and derivatives dicarboximides fatty amides hydrocarbon derivatives lactams monoalkylamines monosaccharides n-acyl-alpha amino acids n-acylpyrrolidines n-unsubstituted carboxylic acid imides organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative carboxylic acid imide, n-unsubstituted saccharide organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound organic disulfide hybrid glycopeptide secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound pyrrolidine-2-carboxamide organooxygen compound

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