KEGG   COMPOUND: C00270Help
Entry
C00270                      Compound                               

Name
N-Acetylneuraminate;
N-Acetylneuraminic acid;
5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid;
Neu5Ac
Formula
C11H19NO9
Exact mass
309.106
Mol weight
309.2699
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Amino sugar and nucleotide sugar metabolism
Metabolic pathways
Enzyme
1.14.18.2       2.3.1.44        2.3.1.45        2.5.1.56        
2.7.7.43        3.1.1.53        3.1.3.29        3.2.1.18        
4.1.3.3
Brite
Compounds with biological roles [BR:br08001]
 Carbohydrates
  Monosaccharides
   Amino sugars
    C00270  N-Acetylneuraminic acid
BRITE hierarchy
Other DBs
CAS: 
131-48-6
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C1y C    24.2148  -21.4379
            2   C1y C    24.2148  -22.8420
            3   O2x O    25.4324  -20.7447
            4   C1c C    22.9971  -20.7447
            5   C1y C    25.4324  -23.5469
            6   N1b N    22.9971  -23.5469
            7   C1z C    26.6383  -21.4379
            8   C1c C    23.0029  -19.3405
            9   O1a O    21.7852  -21.4379
            10  C1x C    26.6383  -22.8420
            11  O1a O    25.4324  -24.9450
            12  C5a C    23.0029  -24.9391
            13  C6a C    27.6287  -20.4418
            14  O1a O    27.9840  -21.7991
            15  C1b C    21.7852  -18.6357
            16  O1a O    24.2148  -18.6357
            17  C1a C    21.7969  -25.6382
            18  O5a O    24.2088  -25.6325
            19  O6a O    28.9861  -20.7971
            20  O6a O    27.2499  -19.0902
            21  O1a O    21.7852  -17.2374
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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