DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:49:29 UTC
Update Date	2025-03-25 00:25:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01321991
Frequency	1.0
Structure
Chemical Formula	C₅₁H₇₁N₁₇O₁₅S₂
Molecular Mass	1225.4757
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2C(=O)NC(Cc3ccccc3)C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC(=O)CCCN=C(N)N)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	UBQJYQYYZGUUAI-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 carboximidamides carboxylic acids and derivatives cyclic peptides dicarboximides gamma amino acids and derivatives guanidines hydrocarbon derivatives lactams monoalkylamines n-acyl amines n-acyl ureas n-unsubstituted carboxylic acid imides organic carbonic acids and derivatives 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 aromatic heteromonocyclic compound gamma amino acid or derivatives guanidine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide ureide organoheterocyclic compound n-acyl urea polypeptide carbonic acid derivative azacycle organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine carboxylic acid imide secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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