DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:51:45 UTC
Update Date	2025-03-24 21:22:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01758291
Frequency	0.7
Structure
Chemical Formula	C₄₃H₅₅N₉O₁₅S₂
Molecular Mass	1001.3259
SMILES	N=C(O)CC1NC(=O)C(CCC(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)O)NC1=O
InChI Key	JSXRIXRVTVIUEE-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 carboximidic acids carboxylic acids cyclic peptides glutamic acid and derivatives hydrocarbon derivatives lactams macrolactams monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative macrolactam organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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