KEGG   COMPOUND: C04505
Entry
C04505                      Compound                               
Name
Polysialic acid acetylated at O-7
Formula
(C12H16NO9R)n
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 7119
ChEBI: 8323
KCF data

ATOM        25
            1   C1y C    36.5051  -21.9059
            2   C1y C    36.5051  -23.4100
            3   C1c C    35.1701  -21.1631
            4   O2x O    37.8401  -21.1631
            5   C1y C    37.8401  -24.1651
            6   N1b N    35.1701  -24.1651
            7   C1b C    33.8350  -21.8934
            8   O7a O    35.1573  -19.6526
            9   C1z C    39.1624  -21.9059
            10  C1x C    39.1624  -23.4100
            11  O1a O    37.8401  -25.6630
            12  C1b C    33.8223  -23.3913
            13  Z   *    31.9445  -21.1444
            14  C6a C    39.9161  -20.6014
            15  O1a O    40.6954  -21.9059
            16  O1a O    32.4874  -24.1403
            17  O6a O    39.1433  -19.2970
            18  O6a O    41.4491  -20.6014
            19  Z   *    42.9183  -21.9059
            20  C5a C    35.1701  -25.5651
            21  R   R    33.9576  -26.2651
            22  O5a O    36.3825  -26.2651
            23  C7a C    33.9449  -18.9526
            24  C1a C    33.9449  -17.5526
            25  O6a O    32.7324  -19.6526
BOND        25
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11    7  12 1
            12    7  13 1 #Up
            13    9  14 1 #Up
            14    9  15 1
            15   12  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19    9  10 1
            20    6  20 1
            21   20  21 1
            22   20  22 2
            23    8  23 1
            24   23  24 1
            25   23  25 2
BRACKET     1    33.1100  -22.1900   33.1100  -20.7200
            1    41.7900  -21.1400   41.7900  -22.6100
            1  n
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  14  15  16  17
            1   18  20  21  22  23  24  25
 REPEAT    1

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