DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:58:49 UTC
Update Date	2025-03-24 20:33:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01486732
Frequency	0.9
Structure
Chemical Formula	C₄₅H₆₈N₁₂O₁₆S₂
Molecular Mass	1096.4318
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC2OC(CO)C(O)C2O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	HTZCHIDYFOJMFS-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 and derivatives cyclic peptides fatty amides hydrocarbon derivatives lactams monoalkylamines monosaccharides n-acylpyrrolidines organic disulfides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides tetrahydrofurans
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle tetrahydrofuran carboxamide group oxacycle secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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