DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 02:08:32 UTC
Update Date	2025-03-21 20:48:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00363245
Frequency	5.2
Structure
Chemical Formula	C₄₆H₆₄N₁₄O₁₃S₂
Molecular Mass	1084.4219
SMILES	NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(=O)CCCNC(N)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC1=O
InChI Key	ZADZAFXKXWGXRY-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 dialkylamines dicarboximides gamma amino acids and derivatives hydrocarbon derivatives lactams macrolactams monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines n-unsubstituted carboxylic acid imides organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety lactam amino acid or derivatives alpha-amino acid or derivatives macrolactam carboxylic acid imide, n-unsubstituted 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 carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic disulfide phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide amine primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound gamma amino acid or derivatives fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide tertiary carboxylic acid amide organopnictogen compound dicarboximide pyrrolidine proline or derivatives secondary amine carboxamide group n-acyl-amine organic oxygen compound cyclic alpha peptide benzenoid organic nitrogen compound organooxygen compound

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