DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:38:49 UTC
Update Date	2025-03-24 22:18:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01150959
Frequency	1.2
Structure
Chemical Formula	C₄₆H₆₆N₁₄O₁₁S₂
Molecular Mass	1054.4477
SMILES	N=C(N)NCCCC(=O)NC(CCC(N)=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1
InChI Key	GPRMGHAZVDSXEU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	macrolactams
Subclass	macrolactams
Direct Parent	macrolactams
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids and derivatives gamma amino acids and derivatives guanidines hydrocarbon derivatives imines lactams monoalkylamines n-acyl amines n-acylpyrrolidines organic disulfides organic oxides organopnictogen compounds peptidomimetics primary carboxylic acid amides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound gamma amino acid or derivatives guanidine imine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam non-alpha peptide organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound azacycle carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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