DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:37:28 UTC
Update Date	2025-03-24 20:24:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01436881
Frequency	0.9
Structure
Chemical Formula	C₅₄H₇₆N₁₆O₁₂S₂
Molecular Mass	1204.527
SMILES	N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)N(C(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)O)C(C2CSSCC(N)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(Cc3ccccc3)N2)NC(=O)C(CC(=N)O)NC1=O
InChI Key	BYDIWGFXLCOPDN-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 amino acids arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboximidic acids carboxylic acids cyclic peptides dialkylamines guanidines hydrocarbon derivatives imines lactams macrolactams monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic carbonic acids and derivatives organic disulfides organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine polypeptide carbonic acid derivative azacycle n-acyl-alpha-amino acid carboximidamide secondary amine carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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