CHEBI:194905 - 2-(Methylthio)nicotinic acid

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ChEBI Name 2-(Methylthio)nicotinic acid
ChEBI ID CHEBI:194905
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C7H7NO2S
Net Charge 0
Average Mass 169.200
Monoisotopic Mass 169.01975
InChI InChI=1S/C7H7NO2S/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)
InChIKey COPSJQVPEUUOKY-UHFFFAOYSA-N
SMILES S(C=1N=CC=CC1C(O)=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-(Methylthio)nicotinic acid (CHEBI:194905) is a aromatic carboxylic acid (CHEBI:33859)
2-(Methylthio)nicotinic acid (CHEBI:194905) is a pyridines (CHEBI:26421)
IUPAC Name
2-methylsulanylpyridine-3-carboxylic acid
Manual Xref Database
230436 ChemSpider
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