DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:07:55 UTC
Update Date	2025-03-24 20:11:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01366231
Frequency	1.0
Structure
Chemical Formula	C₄₄H₆₀N₁₀O₁₄S₂
Molecular Mass	1016.3732
SMILES	CCC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	VEBADMQYHWDXJP-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 carbonyl compounds carboxylic acids cyclic peptides dicarboxylic acids and derivatives fatty amides glutamic acid and derivatives hydrocarbon derivatives lactams macrolactams monoalkylamines n-acyl-alpha amino acids organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam 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 glutamic acid or derivatives carboxamide group secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide organic disulfide dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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