KEGG   COMPOUND: C00253Help
Entry
C00253                      Compound                               

Name
Nicotinate;
Nicotinic acid;
Niacin;
3-Pyridinecarboxylic acid
Formula
C6H5NO2
Exact mass
123.032
Mol weight
123.1094
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Nicotinate and nicotinamide metabolism
Tropane, piperidine and pyridine alkaloid biosynthesis
Biosynthesis of plant secondary metabolites
Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
Metabolic pathways
Biosynthesis of secondary metabolites
Microbial metabolism in diverse environments
Pertussis
Enzyme
1.17.1.5        1.17.2.1        2.1.1.7         2.4.1.196       
2.4.2.1         2.4.2.21        2.4.2.55        2.4.99.20       
3.2.2.3         3.5.1.19        6.3.4.21
Brite
Compounds with biological roles [BR:br08001]
 Cofactors
  Vitamins
   Water-soluble vitamins
    C00253  Nicotinic acid (Vitamin B3)
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from nicotinic acid
   Pyridine alkaloids
    C00253  Nicotinate
BRITE hierarchy
Other DBs
CAS: 
59-67-6
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        9
            1   C8y C    25.1352  -16.9986
            2   C8x C    23.9013  -16.3004
            3   C8x C    25.1469  -18.3372
            4   C6a C    26.3341  -16.2944
            5   C8x C    22.6849  -17.0102
            6   N5x N    23.9013  -19.1114
            7   O6a O    27.5389  -16.9812
            8   O6a O    26.3108  -14.9035
            9   C8x C    22.6908  -18.4130
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6   9 2

» Japanese version

DBGET integrated database retrieval system