2-(propylthio)nicotinic acid (CHEBI:167828)

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CHEBI:167828 - 2-(propylthio)nicotinic acid

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ChEBI ID	CHEBI:167828
ChEBI Name	2-(propylthio)nicotinic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H11NO2S
Net Charge	0
Average Mass	197.259
Monoisotopic Mass	197.05105
SMILES	CCCSc1ncccc1C(=O)O
InChI	InChI=1S/C9H11NO2S/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h3-5H,2,6H2,1H3,(H,11,12)
InChIKey	CSMDLVRDBYKTAH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood serum (BTO:0000133)	MetaboLights (MTBLS2542)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	2-(propylthio)nicotinic acid (CHEBI:167828) is a aromatic carboxylic acid (CHEBI:33859)
	2-(propylthio)nicotinic acid (CHEBI:167828) is a pyridines (CHEBI:26421)

IUPAC Name
2-propylsulanylpyridine-3-carboxylic acid

Manual Xrefs	Databases
2054922	ChemSpider