2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid (CHEBI:194290)

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CHEBI:194290 - 2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid

Default Structure

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ChEBI ID	CHEBI:194290
ChEBI Name	2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H11NO4S
Net Charge	0
Average Mass	277.301
Monoisotopic Mass	277.04088
SMILES	Cc1nc(C)c(C(=O)O)c(-c2ccsc2)c1C(=O)O
InChI	InChI=1S/C13H11NO4S/c1-6-9(12(15)16)11(8-3-4-19-5-8)10(13(17)18)7(2)14-6/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKey	DPMSHSCAQSPBKZ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	peripheral blood mononuclear cell (BTO:0001025)	MetaboLights (MTBLS6661)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid (CHEBI:194290) is a aromatic carboxylic acid (CHEBI:33859)
	2,6-dimethyl-4-(3-thienyl)pyridine-3,5-dicarboxylic acid (CHEBI:194290) is a pyridines (CHEBI:26421)

IUPAC Name
2,6-dimethyl-4-thiophen-3-ylpyridine-3,5-dicarboxylic acid

Manual Xrefs	Databases
2021403	ChemSpider