DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:46:14 UTC
Update Date	2025-03-25 01:10:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02307008
Frequency	0.5
Structure
Chemical Formula	C₄₆H₇₅N₁₅O₁₃S₂
Molecular Mass	1109.511
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(N)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(C(CO)N2CCCC2C(=O)NC(CCCCN)C(=O)NCC(N)=O)NC1=O
InChI Key	IMQATPOMDRCSBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-aminoalcohols 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 hydrocarbon derivatives lactams monoalkylamines n-acyl amines n-acyl-alpha amino acids n-alkylpyrrolidines organic disulfides organic oxides organopnictogen compounds primary alcohols primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides trialkylamines
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound amino acid or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine 1,2-aminoalcohol tertiary aliphatic amine carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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