DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:57:02 UTC
Update Date	2025-03-24 21:24:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01770665
Frequency	0.7
Structure
Chemical Formula	C₄₁H₆₂N₁₀O₁₂S₂
Molecular Mass	950.399
SMILES	CCC(C)C(O)C(=O)NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(C)CC)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1
InChI Key	HJTUOGQOBJRZTE-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 acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides dicarboximides hydrocarbon derivatives lactams monoalkylamines monosaccharides n-acyl amines 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 proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle carboxamide group n-acyl-amine carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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