KEGG   COMPOUND: C19910Help
Entry
C19910                      Compound                               

Name
N-Acetyl-beta-neuraminate;
beta-Neu5Ac
Formula
C11H19NO9
Exact mass
309.106
Mol weight
309.2699
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
PubChem: 
ChEMBL: 
PDB-CCD: 
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1y C    24.2149  -21.4380
            2   C1y C    24.2149  -22.8421
            3   O2x O    25.4325  -20.7448
            4   C1c C    22.9972  -20.7448
            5   C1y C    25.4325  -23.5470
            6   N1b N    22.9972  -23.5470
            7   C1z C    26.6384  -21.4380
            8   C1c C    23.0030  -19.3406
            9   O1a O    21.7853  -21.4380
            10  C1x C    26.6384  -22.8421
            11  O1a O    25.4325  -24.9451
            12  C5a C    23.0030  -24.9392
            13  C6a C    27.6288  -20.4419
            14  O1a O    27.9841  -21.7992
            15  C1b C    21.7853  -18.6358
            16  O1a O    24.2149  -18.6358
            17  C1a C    21.7970  -25.6383
            18  O5a O    24.2089  -25.6326
            19  O6a O    28.9862  -20.7972
            20  O6a O    27.2500  -19.0903
            21  O1a O    21.7853  -17.2375
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 #Down
            13    7  14 1 #Up
            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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