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
Degradation of aromatic compounds
Enzyme
1.14.12.-       1.14.13.-
Other DBs
CAS: 
104-15-4
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
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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