CHEBI:32544 - nicotinate

ChEBI IDCHEBI:32544
ChEBI Namenicotinate
Stars
DefinitionA pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Secondary ChEBI IDsCHEBI:14650, CHEBI:22851, CHEBI:25530
Last Modified30 August 2023
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H4NO2
Net Charge-1
Average Mass122.103
Monoisotopic Mass122.02475
SMILESO=C([O-])c1cccnc1
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
water-soluble vitamin (role)  Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
Application:
nutraceutical  A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
ChEBI Ontology
Outgoing Relation(s)
nicotinate (CHEBI:32544) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
nicotinate (CHEBI:32544) has role metabolite (CHEBI:25212)
nicotinate (CHEBI:32544) is a pyridinemonocarboxylate (CHEBI:38181)
nicotinate (CHEBI:32544) is a vitamin B3 (CHEBI:176839)
nicotinate (CHEBI:32544) is conjugate base of nicotinic acid (CHEBI:15940)
Incoming Relation(s)
N-glycosylnicotinate (CHEBI:25533) has functional parent nicotinate (CHEBI:32544)
N-methylnicotinate (CHEBI:18123) has functional parent nicotinate (CHEBI:32544)
5-hydroxynicotinate(1−) (CHEBI:235306) has functional parent nicotinate (CHEBI:32544)
5-pyridoxate (CHEBI:30960) has functional parent nicotinate (CHEBI:32544)
nicotinic acid (CHEBI:15940) is conjugate acid of nicotinate (CHEBI:32544)
IUPAC Name 
pyridine-3-carboxylate
Synonym  Source
3-pyridinecarboxylateChEBI
UniProt Name  Source
nicotinateUniProt
Manual XrefsDatabases
NIACINEMetaCyc
C00253KEGG COMPOUND
Registry NumbersSources
Gmelin:327384Gmelin
Reaxys:3539722Reaxys
Citations