C00253


Entry
C00253                      Compound                               
Name
Nicotinate;
Nicotinic acid;
Niacin;
3-Pyridinecarboxylic acid
Formula
C6H5NO2
Exact mass
123.032
Mol weight
123.1094
Structure
Remark
Same as: D00049
Reaction
R00119 R01268 R01720 R01721 R01722 R01723 R01724 R02295
R02861 R04148 R05128 R06779 R08426 R09473 R10046 R10608
R10632
Pathway
map00760  Nicotinate and nicotinamide metabolism
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01064  Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01240  Biosynthesis of cofactors
map05133  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]
 Vitamins and 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  Niacin (USP) <US>
  C10 LIPID MODIFYING AGENTS
   C10A LIPID MODIFYING AGENTS, PLAIN
    C10AD Nicotinic acid and derivatives
     C10AD02 Nicotinic acid
      D00049  Niacin (USP) <US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, Other
   Niacin
    D00049  Niacin (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   313  Vitamin B preparations
    3132  Nicotinic acids
     D00049  Niacin (USP); Nicotinic acid (JP18/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Nicotinic acid
    D00049  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
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00049  Nicotinic acid
  D00049  Nicotinic acid injection
Other DBs
CAS: 59-67-6
PubChem: 3552
ChEBI: 15940
KNApSAcK: C00000208
PDB-CCD: NIO[PDBj]
3DMET: B00073
NIKKAJI: J2.809F
KCF data

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