DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:06:53 UTC
Update Date	2025-03-24 19:54:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01073420
Frequency	1.3
Structure
Chemical Formula	C₄₄H₆₂N₁₄O₁₁S₂
Molecular Mass	1026.4164
SMILES	N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCC(N)=O)CNC(=N)N)NC(=O)C(CC(=N)O)NC1=O
InChI Key	DRWYZYIQGOYPAR-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 carboximidamides carboximidic acids carboxylic acids and derivatives cyclic peptides delta amino acids and derivatives fatty amides gamma amino acids and derivatives guanidines hydrocarbon derivatives imines lactams macrolactams monoalkylamines 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	primary carboxylic acid amide fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound gamma amino acid or derivatives guanidine imine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives pyrrolidine organoheterocyclic compound proline or derivatives polypeptide alpha-amino acid amide azacycle carboximidamide 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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