DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:54:25 UTC
Update Date	2025-03-25 01:37:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02465791
Frequency	0.5
Structure
Chemical Formula	C₄₂H₅₉N₉O₁₄S₄
Molecular Mass	1041.3064
SMILES	CC(C)CC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(=O)N2CCCC2C(=O)O)CSSCC(C(=O)O)N=C(C(=O)O)C1)C(=O)NCC(N)=O
InChI Key	LFOGJLFVQARSLF-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 azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids cyclic peptides hydrocarbon derivatives ketimines lactams leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidine carboxylic acids pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl ketimine monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound imine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives pyrrolidine carboxylic acid 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 organic 1,3-dipolar compound carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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