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
Module
M00622  
Nicotinate degradation, nicotinate => fumarate
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
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AC Nicotinic acid and derivatives
     C04AC01 Nicotinic acid
      D00049  Nicotinic acid (JP16/INN); Niacin (USP)
  C10 LIPID MODIFYING AGENTS
   C10A LIPID MODIFYING AGENTS, PLAIN
    C10AD Nicotinic acid and derivatives
     C10AD02 Nicotinic acid
      D00049  Nicotinic acid (JP16/INN); Niacin (USP)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, Other
   Niacin
    D00049  Nicotinic acid (JP16/INN); Niacin (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   313  Vitamin B preparations
    3132  Nicotinic acids
     D00049  Nicotinic acid (JP16/INN); Niacin (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Category 3
  Inorganic and organic chemicals
   Nicotinic acid
    D00049  Nicotinic acid (JP16/INN); Niacin (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00049  Nicotinic acid
  D00049  Nicotinic acid injection
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from nicotinic acid
   Pyridine alkaloids
    D00049  Nicotinic acid (JP15/INN); Niacin (USP)
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  962  Vitamin preparations
   9623  Vitamin B and preparations (except vitamin B1 preparations)
    C00253  Nicotinate
BRITE hierarchy
Other DBs
CAS: 
59-67-6
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
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

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