DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:55:28 UTC
Update Date	2025-03-25 01:38:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02468249
Frequency	0.5
Structure
Chemical Formula	C₄₇H₆₈N₁₂O₁₁S₂
Molecular Mass	1040.4572
SMILES	CCC(C)C1CC(=O)NC(Cc2ccccc2)C(=O)NC(CCC(=N)O)C(=O)NC(C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)O)CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)N1
InChI Key	AQGVTUPMJQNNFE-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 beta amino acids and derivatives carbonyl compounds carboximidamides carboximidic acids carboxylic acids guanidines hybrid peptides hydrocarbon derivatives imines lactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides 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 pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives cyclic hybrid peptide proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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