DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:09:44 UTC
Update Date	2025-03-25 01:19:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02361462
Frequency	0.5
Structure
Chemical Formula	C₄₁H₆₃N₁₃O₁₂S₂
Molecular Mass	993.4161
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(CCC(N)=O)N2C(=O)NC2C(=O)NC(=O)CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	HWWFDIDYJYDFIB-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 and derivatives cyclic peptides delta amino acids and derivatives diazetidines dicarboximides hydrocarbon derivatives lactams monoalkylamines n-acyl amines n-unsubstituted carboxylic acid imides organic carbonic acids and derivatives 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 aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives dicarboximide organoheterocyclic compound 1,3-diazetidine polypeptide carbonic acid derivative azacycle 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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