DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:20:50 UTC
Update Date	2025-03-25 00:39:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02111515
Frequency	0.6
Structure
Chemical Formula	C₅₀H₇₆N₁₄O₁₃S₂
Molecular Mass	1144.5158
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(C)CC)C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)O)CNC(=O)C(CCC(N)=O)NC1=O
InChI Key	BZIXTCMMSCOZOQ-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 azacyclic compounds benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboximidamides carboxylic acids cyclic peptides fatty amides guanidines hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound guanidine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide azacycle n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group beta amino acid or derivatives 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

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