DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:04 UTC
Update Date	2025-03-25 00:46:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02155981
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₅N₃O₆S
Molecular Mass	435.1464
SMILES	CSCCC(NC(=O)C(CCC(=O)O)NC(=O)Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	GJMAEDBKZWGJAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives glutamic acid and derivatives heteroaromatic compounds hydrocarbon derivatives indoles methionine and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds pyrroles secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl carbonyl group carboxylic acid indole fatty amide alpha-amino acid or derivatives organosulfur compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives sulfenyl compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether heteroaromatic compound indole or derivatives glutamic acid or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide thia fatty acid organic oxygen compound thioether pyrrole methionine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02155981