CHEBI:66942 - 4-oxo-4-(pyridin-3-yl)butanoate

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ChEBI Name 4-oxo-4-(pyridin-3-yl)butanoate ChEBI ID CHEBI:66942 Definition A carboxylic acid anion resulting from the removal of a proton from the carboxy group of 4-oxo-4-(pyridin-3-yl)butanoic acid. The major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information ZINC000031168439 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H8NO3 Net Charge -1 Average Mass 178.16470 Monoisotopic Mass 178.05097 InChI InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)/p-1 InChIKey JGSUNMCABQUBOY-UHFFFAOYSA-M SMILES [O-]C(=O)CCC(=O)c1cccnc1 ChEBI Ontology Outgoing 4-oxo-4-(pyridin-3-yl)butanoate (CHEBI:66942) is a carboxylic acid anion (CHEBI:29067) 4-oxo-4-(pyridin-3-yl)butanoate (CHEBI:66942) is conjugate base of 4-oxo-4-(pyridin-3-yl)butanoic acid (CHEBI:66951) Incoming 4-oxo-4-(pyridin-3-yl)butanoic acid (CHEBI:66951) is conjugate acid of 4-oxo-4-(pyridin-3-yl)butanoate (CHEBI:66942) Synonym Source 4-oxo-4-(pyridin-3-yl)butanoate UniProt Manual Xrefs Databases CPD-14094 MetaCyc HMDB0000992 HMDB View more database links Citation Type Source 22267672 PubMed citation SUBMITTER Last Modified 03 August 2012

General Comment 2012-08-03 Needed for the new IUBMB reaction: 4-oxo-4-(pyridin-3-yl)butanal + NADP+ + H2O = 4-oxo-4-(pyridin-3-yl)butanoate + NADPH + H+