loading...| Preferred Name |
nicotinate |
|
| Synonyms |
pyridine-3-carboxylate nicotinate 3-pyridinecarboxylate |
|
| Definitions |
A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_32544 |
|
| charge |
-1 |
|
| database_cross_reference |
Beilstein:3539722 PMID:21742010 PMID:17190852 PMID:21953179 MetaCyc:NIACINE Gmelin:327384 Reaxys:3539722 |
|
| definition |
A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. |
|
| formula |
C6H4NO2 |
|
| has_alternative_id |
CHEBI:14650 CHEBI:25530 CHEBI:22851 |
|
| has_exact_synonym |
pyridine-3-carboxylate nicotinate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3-pyridinecarboxylate |
|
| id |
CHEBI:32544 |
|
| in_subset | ||
| inchi |
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1 |
|
| inchikey |
PVNIIMVLHYAWGP-UHFFFAOYSA-M |
|
| is_conjugate_base_of | ||
| label |
nicotinate |
|
| mass |
122.10150 |
|
| monoisotopicmass |
122.02475 |
|
| notation |
CHEBI:32544 |
|
| prefLabel |
nicotinate |
|
| RO_0000087 | ||
| smiles |
[O-]C(=O)c1cccnc1 |
|
| subClassOf |