DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:43:24 UTC
Update Date	2025-03-25 01:32:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02440215
Frequency	0.5
Structure
Chemical Formula	C₃₅H₅₂N₁₂O₁₂S₂
Molecular Mass	896.3269
SMILES	CC(O)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC(=N)O)NC(=O)NC1=O
InChI Key	ZFSJOFHWTGTAPM-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 arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboximidic acids carboxylic acids cyclic peptides dicarboximides guanidines hydrocarbon derivatives imines lactams monoalkylamines monocarboxylic acids and derivatives n-acyl ureas n-acyl-alpha amino acids n-acylpyrrolidines organic carbonic acids and derivatives organic disulfides organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound guanidine imine n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide arginine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine ureide organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol n-acyl urea polypeptide carbonic acid derivative alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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