DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:10 UTC
Update Date	2025-03-25 00:56:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220260
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₃N₃O₇S
Molecular Mass	331.0474
SMILES	CS(=O)(=O)Nc1ccc(C(=O)NC(CC(=O)O)C(=O)O)cn1
InChI Key	SWGSKLJILHIHPQ-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	aspartic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines alpha amino acids aminosulfonyl compounds azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams methylpyridines n-acyl-alpha amino acids nicotinamides organic oxides organic sulfonamides organonitrogen compounds organopnictogen compounds organosulfonamides polyhalopyridines pyridinecarboxylic acids and derivatives secondary carboxylic acid amides
Substituents	pyridine carboxylic acid or derivatives organosulfonic acid or derivatives carbonyl group carboxylic acid aromatic heteromonocyclic compound polyhalopyridine nicotinamide organosulfur compound organosulfonic acid amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle aminosulfonyl compound n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine methylpyridine carboxamide group secondary carboxylic acid amide sulfonyl pyridine organic oxygen compound organic sulfonic acid or derivatives aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organic sulfonic acid amide organooxygen compound

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