KEGG   COMPOUND: C06679
Entry
C06679                      Compound                               
Name
4-Sulfobenzaldehyde;
4-Formylbenzenesulfonate
Formula
C7H6O4S
Exact mass
185.9987
Mol weight
186.1851
Structure
Reaction
R05271 R05272
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.1.1.257       1.2.1.62
Other DBs
PubChem: 8904
ChEBI: 18256
3DMET: B01027
NIKKAJI: J28.740G
LinkDB
KCF data

ATOM        12
            1   C8y C    27.8962  -20.4346
            2   C8x C    26.7078  -19.7547
            3   C8x C    29.0788  -19.7547
            4   S4a S    27.8962  -21.8058
            5   C8x C    26.7078  -18.3836
            6   C8x C    29.0788  -18.3836
            7   O1d O    27.9141  -23.4674
            8   O1d O    26.7136  -22.4856
            9   O1d O    29.2896  -22.3488
            10  C8y C    27.8962  -17.7038
            11  C4a C    27.8962  -16.3384
            12  O4a O    29.1464  -15.6169
BOND        12
            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    6  10 2
            12   11  12 2

» Japanese version

DBGET integrated database retrieval system