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 search
Reaction
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.2.1.62        1.14.12.8
Other DBs
CAS: 636-78-2
PubChem: 5300
ChEBI: 20476 30789
3DMET: B00410
NIKKAJI: J135.893F
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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