KEGG   COMPOUND: C03525Help
Entry
C03525                      Compound                               

Name
O-Acetylneuraminic acid;
O-Acetylated sialic acid
Formula
C11H19NO9
Exact mass
309.106
Mol weight
309.2699
Structure
Mol fileKCF fileDB search
Brite
Compounds with biological roles [BR:br08001]
 Carbohydrates
  Monosaccharides
   Amino sugars
    C03525  O-Acetylneuraminic acid
BRITE hierarchy
Other DBs
PubChem: 6333
ChEBI: 28879
3DMET: B04901
NIKKAJI: J2.742.962I
KCF data Show

ATOM        21
            1   C1y C    24.5064  -17.2071
            2   O2x O    25.7242  -16.5137
            3   C1y C    24.5064  -18.6112
            4   C1c C    23.2944  -16.5137
            5   C1z C    26.9360  -17.2071
            6   C1y C    25.7242  -19.3163
            7   N1a N    23.2944  -19.3163
            8   C1c C    23.2944  -15.1096
            9   O1a O    22.0769  -17.2071
            10  C1x C    26.9360  -18.6112
            11  C6a C    27.9207  -16.2107
            12  O1a O    28.2820  -17.5684
            13  O1a O    25.7242  -20.7147
            14  C1b C    22.0826  -14.4046
            15  O1a O    24.5064  -14.4046
            16  O6a O    29.2782  -16.5662
            17  O6a O    27.5478  -14.8590
            18  O7a O    22.0826  -13.0063
            19  C7a C    23.2887  -12.3071
            20  C1a C    24.4948  -13.0063
            21  O6a O    23.2887  -10.9147
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Up
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1 #Either
            11    5  12 1
            12    6  13 1 #Down
            13    8  14 1
            14    8  15 1 #Up
            15   11  16 1
            16   11  17 2
            17   14  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21    6  10 1

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