DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:52 UTC
Update Date	2025-03-25 00:58:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02232967
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₃N₅O₃S
Molecular Mass	447.2304
SMILES	CCC(C)C(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(N)=O
InChI Key	YEFLLPOSDUZWHN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives indoles isoleucine and derivatives methionine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides pyrroles secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl carbonyl group indole fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether heteroaromatic compound indole or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound thioether pyrrole methionine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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