CHEBI:2012 - 5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid

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ChEBI Name 5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid
ChEBI ID CHEBI:2012
Definition An oxo dicarboxylic acid that is 4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid substituted by a 3-carboxy-3-oxoprop-1-en-1-yl group at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C10H7NO7
Net Charge 0
Average Mass 253.16510
Monoisotopic Mass 253.02225
InChI InChI=1S/C10H7NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h1-3H,(H,15,16)(H,17,18)(H2,11,13,14)
InChIKey ATWKTZAAIUROID-UHFFFAOYSA-N
SMILES OC(=O)C(=O)C=Cc1c(O)cc([nH]c1=O)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 5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012) has functional parent picolinic acid (CHEBI:28747)
5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012) is a oxo dicarboxylic acid (CHEBI:36145)
5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012) is a pyridone (CHEBI:38183)
5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012) is conjugate acid of 5-(3-carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylate (CHEBI:86002)
Incoming 5-(3-carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylate (CHEBI:86002) is conjugate base of 5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012)
IUPAC Name
5-(3-carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid
Manual Xref Database
C05641 KEGG COMPOUND
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Last Modified
11 June 2015