KEGG   COMPOUND: C06677
Entry
C06677                      Compound                               
Name
Toluene-4-sulfonate;
Tosylate
Formula
C7H8O3S
Exact mass
172.0194
Mol weight
172.2016
Structure
Reaction
R05281 R05294 R07663
Pathway
map00623  Toluene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.14.12.14      1.14.13.-
Other DBs
CAS: 104-15-4
PubChem: 8902
ChEBI: 27849
PDB-CCD: TSU[PDBj]
3DMET: B01025
NIKKAJI: J5.025C
LinkDB
KCF data

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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