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
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
ChEMBL: CHEMBL541253
PDB-CCD: TSU[PDBj]
3DMET: B01025
NIKKAJI: J5.025C
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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