DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:23:14 UTC
Update Date	2025-03-25 01:49:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02532803
Frequency	0.5
Structure
Chemical Formula	C₄₆H₆₃N₁₃O₁₀S₂
Molecular Mass	1021.4262
SMILES	NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCNC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChI Key	RFTBPMPZEFERPH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives cyclic peptides dialkylamines heteroaromatic compounds hydrocarbon derivatives indoles lactams monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound amino acid or derivatives indole fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives secondary 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 pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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