KEGG   COMPOUND: C02236Help
Entry
C02236                      Compound                               

Name
4-Sulfobenzoate;
4-Sulfobenzoic acid
Formula
C7H6O5S
Exact mass
201.9936
Mol weight
202.1845
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Toluene degradation
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Enzyme
1.2.1.62        1.14.12.8
Other DBs
CAS: 
636-78-2
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C8y C    28.8808  -18.0220
            2   C8x C    27.6642  -17.3201
            3   C8x C    30.0915  -17.3201
            4   S4a S    28.8866  -19.4199
            5   C8x C    27.6642  -15.9223
            6   C8x C    30.0915  -15.9223
            7   O1d O    28.8992  -21.1209
            8   O1d O    27.6701  -20.1218
            9   O1d O    30.0973  -20.1158
            10  C8y C    28.8808  -15.2205
            11  C6a C    28.8866  -13.8227
            12  O6a O    30.0973  -13.1266
            13  O6a O    27.6701  -13.1208
BOND        13
            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     4   9 2
            9     5  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13    6  10 2

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