KEGG   COMPOUND: C06677Help
Entry
C06677                      Compound                               
Name
Toluene-4-sulfonate;
Tosylate
Formula
C7H8O3S
Exact mass
172.0194
Mol weight
172.2016
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Toluene degradation
Metabolic pathways
Microbial metabolism in diverse environments
Enzyme
1.14.12.-       1.14.13.-
Other DBs
CAS: 
104-15-4
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        11
            1   S4a S    28.8540  -19.1178
            2   C8y C    28.8540  -17.6908
            3   O1d O    28.8598  -20.5155
            4   C8x C    27.6669  -16.9774
            5   C8x C    30.0353  -16.9774
            6   C8x C    27.6669  -15.5507
            7   C8x C    30.0353  -15.5507
            8   C8y C    28.8540  -14.8372
            9   C1a C    28.8555  -13.4471
            10  O1d O    27.4533  -19.1207
            11  O1d O    30.2547  -19.1149
BOND        11
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     7   8 2
            9     8   9 1
            10    1  10 2
            11    1  11 2

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