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:
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
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