DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 03:06:40 UTC
Update Date	2025-03-21 22:09:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00501174
Frequency	3.4
Structure
Chemical Formula	C₄₆H₆₂N₁₄O₁₁S₂
Molecular Mass	1050.4164
SMILES	N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC(=N)O)NC1=O
InChI Key	FNOIJLGRVXWVDJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	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 guanidines heteroaromatic compounds hydrocarbon derivatives imines indoles lactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organopnictogen compounds proline and derivatives pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound indole guanidine imine n-acylpyrrolidine 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 proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboximidamide carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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