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

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ChEBI Name 6-(2-oxopropylthio)-3-pyridinecarboxylic acid
ChEBI ID CHEBI:114650
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C9H9NO3S
Net Charge 0
Average Mass 211.239
Monoisotopic Mass 211.03031
InChI InChI=1S/C9H9NO3S/c1-6(11)5-14-8-3-2-7(4-10-8)9(12)13/h2-4H,5H2,1H3,(H,12,13)
InChIKey LRBIKSYRCFHKBN-UHFFFAOYSA-N
SMILES CC(=O)CSC1=NC=C(C=C1)C(=O)O
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 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 Xref Database
LSM-26112 LINCS
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