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CHEBI:114650 - 6-(2-oxopropylthio)-3-pyridinecarboxylic acid

Default Structure
ChEBI IDCHEBI:114650
ChEBI Name6-(2-oxopropylthio)-3-pyridinecarboxylic acid
Stars
DownloadsMolfile
FormulaC9H9NO3S
Net Charge0
Average Mass211.242
Monoisotopic Mass211.03031
SMILESCC(=O)CSc1ccc(C(=O)O)cn1
InChIInChI=1S/C9H9NO3S/c1-6(11)5-14-8-3-2-7(4-10-8)9(12)13/h2-4H,5H2,1H3,(H,12,13)
InChIKeyLRBIKSYRCFHKBN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-(2-oxopropylthio)-3-pyridinecarboxylic acid (CHEBI:114650) is a aromatic carboxylic acid (CHEBI:33859)
6-(2-oxopropylthio)-3-pyridinecarboxylic acid (CHEBI:114650) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-26112LINCS