| Entry |
|
|---|
| Name |
Benzoate;
Benzoic acid;
Benzenecarboxylic acid;
Phenylformic acid;
Dracylic acid
|
|---|
| Formula |
C7H6O2
|
|---|
| Exact mass |
122.0368
|
|---|
| Mol weight |
122.12
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00996 | Biosynthesis of various alkaloids |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
| 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 |
|
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| Enzyme |
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|---|
| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
7 Agents not mainly for therapeutic purpose
71 Dispensing medicines
719 Miscellaneous
7190 Miscellaneous
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
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|---|
| Other DBs |
|
|---|
| 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
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|---|
