DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:52 UTC
Update Date	2025-03-21 18:38:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119688
Frequency	21.8
Structure
Chemical Formula	C₁₁H₁₀ClN₃O₅S
Molecular Mass	331.003
SMILES	NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)nc1Cl
InChI Key	PPYOLEUXEOJGSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyridines and derivatives
Subclass	pyridinesulfonamides
Direct Parent	pyridinesulfonamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines amino acids aminosulfonyl compounds aryl chlorides azacyclic compounds carboxylic acids furans heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams monocarboxylic acids and derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds organosulfonamides oxacyclic compounds polyhalopyridines pyridine-3-carboxylic acids secondary alkylarylamines vinylogous amides
Substituents	pyridine carboxylic acid or derivatives furan organosulfonic acid or derivatives carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid pyridine-3-carboxylic acid polyhalopyridine organochloride organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide pyridine-3-sulfonamide organonitrogen compound organopnictogen compound 2-halopyridine imidolactam aryl chloride vinylogous amide azacycle aminosulfonyl compound heteroaromatic compound hydroxypyridine secondary amine secondary aliphatic/aromatic amine aryl halide oxacycle monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives pyridine carboxylic acid hydrocarbon derivative organic nitrogen compound organooxygen compound amine

Showing information for DMID00119688