DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:23 UTC
Update Date	2025-03-25 00:59:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236459
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇N₃O₄S
Molecular Mass	311.094
SMILES	CSCCC(NC(=O)c1ccc(NC(C)=O)nc1)C(=O)O
InChI Key	QDKDLAOXZRVYHX-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	methionine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines acetamides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams methylpyridines monocarboxylic acids and derivatives n-acetylarylamines n-acyl-alpha amino acids nicotinamides organic oxides organopnictogen compounds polyhalopyridines pyridinecarboxylic acids and derivatives secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	pyridine carboxylic acid or derivatives fatty acyl carbonyl group carboxylic acid n-acetylarylamine aromatic heteromonocyclic compound polyhalopyridine nicotinamide n-arylamide organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine imidolactam organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether heteroaromatic compound hydroxypyridine methylpyridine carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid pyridine organic oxygen compound thioether methionine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

Showing information for DMID02236459