KEGG   COMPOUND: C00591
Entry
C00591                      Compound                               

Name
N-Acylneuraminate
Formula
C10H16NO9R
Structure
Comment
Generic compound in reaction hierarchy
R = CH3 [CPD:C00270]
R = CH2OH [CPD:C03410]
Reaction
Enzyme
2.7.7.43        3.1.3.29        3.1.4.40
Other DBs
PubChem: 3870
ChEBI: 16498
KCF data

ATOM        21
            1   C1y C    17.4950  -16.1881
            2   C1y C    17.4950  -17.5922
            3   O2x O    18.7126  -15.4949
            4   C1c C    16.2773  -15.4949
            5   C1y C    18.7126  -18.2971
            6   N1b N    16.2773  -18.2971
            7   C1z C    19.9185  -16.1881
            8   C1c C    16.2831  -14.0907
            9   O1a O    15.0654  -16.1881
            10  C1x C    19.9185  -17.5922
            11  O1a O    18.7126  -19.6952
            12  C5a C    16.2831  -19.6893
            13  C6a C    20.9089  -15.1920
            14  O1a O    21.2642  -16.5493
            15  C1b C    15.0654  -13.3859
            16  O1a O    17.4950  -13.3859
            17  R   R    15.0771  -20.3884
            18  O5a O    17.4890  -20.3827
            19  O6a O    22.2663  -15.5473
            20  O6a O    20.5301  -13.8404
            21  O1a O    15.0654  -11.9876
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1 #Either
            13    7  14 1
            14    8  15 1
            15    8  16 1 #Up
            16   12  17 1
            17   12  18 2
            18   13  19 1
            19   13  20 2
            20   15  21 1
            21    7  10 1

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