KEGG   COMPOUND: C00180
Entry
C00180                      Compound                               
Name
Benzoate;
Benzoic acid;
Benzenecarboxylic acid;
Phenylformic acid;
Dracylic acid
Formula
C7H6O2
Exact mass
122.0368
Mol weight
122.1213
Structure
Remark
Same as: D00038
Reaction
R01295 R01419 R01420 R01421 R01422 R01423 R01424 R01425
R01426 R01427 R02606 R05590 R05591 R05621 R05622 R06727
R06728 R07188 R07835 R08838 R09088 R10447
Pathway
map00362  Benzoate degradation
map00621  Dioxin degradation
map00623  Toluene degradation
map00627  Aminobenzoate degradation
map00996  Biosynthesis of various alkaloids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00538  Toluene degradation, toluene => benzoate
M00543  Biphenyl degradation, biphenyl => 2-oxopent-4-enoate + benzoate
M00551  Benzoate degradation, benzoate => catechol / methylbenzoate => methylcatechol
Enzyme
1.2.1.7         1.2.1.28        1.14.12.10      1.14.13.-       
1.14.14.92      2.1.1.273       3.1.1.1         3.1.1.84        
3.5.1.4         3.5.1.32        3.5.1.40        3.5.5.1         
3.6.1.7         3.6.1.20        3.7.1.8         6.2.1.25
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  73  Public health agents
   731  Antiseptics
    7319  Others
     D00038  Benzoic acid (JP18/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Benzoic acid
    D00038  Benzoic acid (JP18/USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Benzoic acid
    D00038  Benzoic acid (JP18/USP)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Benzoic acid
    D00038  Benzoic acid (JP18/USP)
Animal drugs in Japan [BR:br08331]
 99  Agents for not mainly purpose of therapeutic
  992  Amphoteric soap and preparations
   9929  Other agents for disinfections
    C00180  Benzoate
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00038  Benzoic acid
Other DBs
CAS: 65-85-0
PubChem: 3480
ChEBI: 16150 30746
KNApSAcK: C00000207
PDB-CCD: BEZ[PDBj]
3DMET: B00053
NIKKAJI: J2.358B
KCF data

ATOM        9
            1   C8y C    21.2100  -16.9763
            2   C8x C    20.0003  -17.6676
            3   C8x C    22.4262  -17.6676
            4   C6a C    21.2037  -15.5809
            5   C8x C    20.0003  -19.0759
            6   C8x C    22.4262  -19.0759
            7   O6a O    22.4069  -14.8832
            8   O6a O    19.9938  -14.8897
            9   C8x C    21.2100  -19.7863
BOND        9
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     6   9 1

» Japanese version

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Pathway (13)   
   KEGG PATHWAY (10)   
   KEGG MODULE (3)   
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (19)   
   PubChem (1)   
   ChEBI (2)   
   3DMET (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   MASSBANK (10)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (37)   
   KEGG ENZYME (15)   
   KEGG REACTION (22)   
Gene (23456)   
   KEGG GENES (23456)   
All databases (23526)   

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