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 ChemicalBook:CB2409023, eMolecules:17665709, eMolecules:29913747, eMolecules:35779400, eMolecules:36749934, eMolecules:1937450, eMolecules:24639358 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 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+