KEGG   COMPOUND: C06675
Entry
C06675                      Compound                               
Name
3-Sulfomuconate
Formula
C6H6O7S
Exact mass
221.9834
Mol weight
222.1726
Structure
Reaction
R05278 R05394
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.-       5.5.1.-
Other DBs
PubChem: 8900
3DMET: B01024
NIKKAJI: J762.758K
LinkDB
KCF data

ATOM        14
            1   C2c C    28.2588  -17.2616
            2   C2b C    28.2588  -15.8619
            3   C2b C    29.4711  -17.9584
            4   S4a S    27.0407  -17.9644
            5   C2b C    29.4711  -15.1591
            6   C6a C    30.6834  -17.2616
            7   O1d O    25.7709  -18.8142
            8   O1d O    25.8284  -17.2616
            9   O1d O    27.0465  -19.3640
            10  C6a C    30.6776  -15.8619
            11  O6a O    31.8957  -17.9584
            12  O6a O    31.0465  -18.6028
            13  O6a O    31.8957  -15.1591
            14  O6a O    31.0348  -14.5032
BOND        13
            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    6  11 1
            11    6  12 2
            12   10  13 1
            13   10  14 2

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