EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:16453 - 1,4,5,6-tetrahydro-6-oxonicotinic acid
| Formula | C6H7NO3 |
| Net Charge | 0 |
| Average Mass | 141.126 |
| Monoisotopic Mass | 141.04259 |
| SMILES | O=C1CCC(C(=O)O)=CN1 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 4-oxo monocarboxylic acid (CHEBI:35950) |
| 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 conjugate acid of 1,4,5,6-tetrahydro-6-oxonicotinate (CHEBI:57777) |
| Incoming Relation(s) |
| 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 | Source |
|---|---|
| 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 |