KEGG   COMPOUND: C22382
Entry
C22382                      Compound                               
Name
Aceneuramate;
Aceneuramic acid
Formula
C11H19NO9
Exact mass
309.106
Mol weight
309.2699
Structure
Remark
Same as: D11016
Comment
N-Acetylneuraminate (pyranose) [CPD:C00270]
Reaction
Enzyme
4.1.3.3         5.1.3.24
Other DBs
CAS: 131-48-6
PDB-CCD: SI3[PDBj]
LinkDB
KCF data

ATOM        21
            1   O1a O    12.5994  -17.5680
            2   C1b C    13.8117  -16.8681
            3   C1c C    15.0240  -17.5680
            4   C1c C    16.2363  -16.8681
            5   C1c C    17.4485  -17.5680
            6   C1c C    18.6608  -16.8681
            7   C1c C    19.8731  -17.5680
            8   C1b C    21.0853  -16.8681
            9   C5a C    22.2976  -17.5680
            10  C6a C    23.5099  -16.8681
            11  O6a O    24.7222  -17.5680
            12  O1a O    15.0240  -18.9676
            13  O1a O    16.2363  -15.4683
            14  O1a O    17.4485  -18.9677
            15  N1b N    18.6608  -15.4686
            16  O1a O    19.8731  -18.9678
            17  O5a O    22.2976  -18.9675
            18  O6a O    23.5099  -15.4683
            19  C5a C    19.8939  -14.7564
            20  C1a C    21.0998  -15.4524
            21  O5a O    19.8936  -13.3687
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    3  12 1 #Down
            12    4  13 1 #Up
            13    5  14 1 #Up
            14    6  15 1 #Down
            15    7  16 1 #Down
            16    9  17 2
            17   10  18 2
            18   15  19 1
            19   19  20 1
            20   19  21 2

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