CHEBI:16453 - 1,4,5,6-tetrahydro-6-oxonicotinic acid

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ChEBI Name 1,4,5,6-tetrahydro-6-oxonicotinic acid ChEBI ID CHEBI:16453 Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11168, CHEBI:533, CHEBI:18925 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H7NO3 Net Charge 0 Average Mass 141.12472 Monoisotopic Mass 141.04259 InChI InChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h3H,1-2H2,(H,7,8)(H,9,10) InChIKey SDKCWSUZEUBWLP-UHFFFAOYSA-N SMILES OC(=O)C1=CNC(=O)CC1 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1,4,5,6-tetrahydro-6-oxonicotinic acid (CHEBI:16453) has functional parent nicotinic acid (CHEBI:15940) 1,4,5,6-tetrahydro-6-oxonicotinic acid (CHEBI:16453) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) 1,4,5,6-tetrahydro-6-oxonicotinic acid (CHEBI:16453) is a 4-oxo monocarboxylic acid (CHEBI:35950) 1,4,5,6-tetrahydro-6-oxonicotinic acid (CHEBI:16453) is conjugate acid of 1,4,5,6-tetrahydro-6-oxonicotinate (CHEBI:57777) Incoming 1,4,5,6-tetrahydro-6-oxonicotinate (CHEBI:57777) is conjugate base of 1,4,5,6-tetrahydro-6-oxonicotinic acid (CHEBI:16453) IUPAC Name 6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid Synonyms Sources 1,4,5,6-Tetrahydro-6-oxonicotinate KEGG COMPOUND 1,4,5,6-Tetrahydro-6-oxonicotinate KEGG COMPOUND 1,4,5,6-Tetrahydro-6-oxonicotinic acid KEGG COMPOUND Manual Xref Database C04226 KEGG COMPOUND View more database links Registry Numbers Types Sources 472164 Beilstein Registry Number Beilstein 5155-13-5 CAS Registry Number ChemIDplus Last Modified 07 January 2019