DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:43 UTC
Update Date	2025-03-25 00:54:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205172
Frequency	0.5
Structure
Chemical Formula	C₂₄H₃₁N₅O₉S₂
Molecular Mass	597.1563
SMILES	NC1CSSCC(C(=O)N2CCCC2C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC1=O
InChI Key	CJZSUQRVWLKZFZ-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 acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids cyclic peptides dicarboxylic acids and derivatives hydrocarbon derivatives lactams monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide pyrrolidine carboxylic acid 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 azacycle n-acyl-alpha-amino acid carboxamide group secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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