DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:07:24 UTC
Update Date	2025-03-24 19:54:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01074727
Frequency	1.3
Structure
Chemical Formula	C₆₁H₈₈N₁₈O₁₇S₂
Molecular Mass	1408.6016
SMILES	CC(C)CC(NC(=O)C1CCCN1C(=O)C1CSSCC(C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC(=N)O)NC(=O)C(CC(=N)O)NC(=O)C(CCC(=N)O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)N1)C(=O)NCC(N)=O
InChI Key	HKYANOFVBXZROX-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 amino acids arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboximidic acids carboxylic acids cyclic peptides dialkylamines guanidines hydrocarbon derivatives imines lactams leucine and derivatives macrolactams monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carboximidic acid monocyclic benzene moiety lactam carboxylic acid amino acid or derivatives alpha-amino acid or derivatives macrolactam organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic disulfide phenol hydrocarbon derivative pyrrolidine-2-carboxamide amine primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid guanidine imine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide arginine or derivatives leucine or derivatives tertiary carboxylic acid amide organopnictogen compound pyrrolidine proline or derivatives carboximidamide secondary amine carboxamide group n-acyl-amine monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide benzenoid organic nitrogen compound organooxygen compound

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