nicotinate

Chemical Formula:

C₆H₄NO₂

Molecular Weight:

122.103 Daltons

Monoisotopic Mass:

123.0320284099 Daltons

SMILES:

C1(=CC=C(C([O-])=O)C=N1)

InChI:

1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1

InChIKey:

PVNIIMVLHYAWGP-UHFFFAOYSA-M

Synonyms

3-pyridinecarboxylic acid
nicotinic acid
wampocap
nicolar
nicocap
nicobid
nico-400-
nicamin
niacin
niacine
vitamin B₃
3-pyridinecarboxylate
pyridine-3-carboxylate

Databases

MetaCyc: NIACINE

RefMet: Nicotinic acid

BiGG: nac

MetaboLights: MTBLC32544

HMDB: HMDB01488

ChemSpider: 912

PubChem (CID): 937 938

ChEBI: 32544 15940

KEGG: C00253

CAS: 59-67-6

NIKKAJI: J2.809F

3DMET: B00073

PDB-CCD: NIO

KNApSAcK: C00000208

CHEMBL: CHEMBL573

PupChem (SID): 3552

MediaDB: compounds/248/

Seed: cpd00218

MetaNetX: MNXM274