DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:45:32 UTC
Update Date	2025-03-25 01:10:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02305396
Frequency	0.5
Structure
Chemical Formula	C₅₆H₇₅N₁₅O₁₃S₂
Molecular Mass	1229.511
SMILES	N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)N(C(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)O)C(C(=O)CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC2CC3=CC=C2C=CC=C3)NC(=O)C(CC(=N)O)NC1=O
InChI Key	BHKBUTDQEICGNH-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 amphetamines and derivatives arginine and derivatives azacyclic compounds benzene and substituted derivatives carboximidamides carboximidic acids carboxylic acids cyclic peptides cysteine and derivatives dialkyldisulfides guanidines hydrocarbon derivatives imines ketones lactams monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides sulfenyl compounds tyrosine and derivatives
Substituents	carboximidic acid monocyclic benzene moiety lactam carboxylic acid alpha-amino acid or derivatives ketone organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives sulfenyl compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-substituted-alpha-amino acid secondary carboxylic acid amide organic disulfide cysteine or derivatives phenol hydrocarbon derivative primary aliphatic amine fatty acyl carbonyl group aromatic heteromonocyclic compound guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid organosulfur compound carboxylic acid derivative organic oxide arginine or derivatives organopnictogen compound amphetamine or derivatives carbonic acid derivative carboximidamide carboxamide group n-acyl-amine dialkyldisulfide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound cyclic alpha peptide benzenoid organic nitrogen compound organooxygen compound

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