KEGG   COMPOUND: C00128Help
Entry
C00128                      Compound                               

Name
CMP-N-acetylneuraminate;
CMP-N-acetyl-beta-neuraminate
Formula
C20H31N4O16P
Exact mass
614.1473
Mol weight
614.4511
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Amino sugar and nucleotide sugar metabolism
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
1.14.18.2       2.4.99.1        2.4.99.2        2.4.99.4        
2.4.99.5        2.4.99.6        2.4.99.7        2.4.99.8        
2.4.99.9        2.4.99.10       2.4.99.11       2.4.99.-        
2.7.7.43
Other DBs
CAS: 
3063-71-6
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        41
            1   C1z C    18.7470  -16.1154
            2   O2x O    17.5923  -15.4468
            3   C1x C    18.7470  -17.4441
            4   O2b O    20.8660  -17.7078
            5   C6a C    19.8882  -15.4468
            6   C1y C    16.4394  -16.1154
            7   C1y C    17.5923  -18.1300
            8   P1b P    22.2018  -17.7078
            9   O6a O    19.8589  -14.1240
            10  O6a O    21.0299  -16.1154
            11  C1y C    16.4394  -17.4441
            12  O1a O    17.5982  -19.4471
            13  O2b O    23.5190  -17.7078
            14  O1c O    22.2018  -19.1720
            15  O1c O    22.2018  -16.1680
            16  C1b C    24.8490  -17.7078
            17  C1y C    26.1079  -18.1009
            18  O2x O    27.1798  -17.3208
            19  C1y C    26.5299  -19.3599
            20  C1y C    28.2689  -18.1183
            21  C1y C    27.8773  -19.3599
            22  O1a O    25.7685  -20.4376
            23  N4y N    29.1130  -15.8979
            24  O1a O    28.6560  -20.4259
            25  C8y C    27.9527  -15.2248
            26  C8x C    30.2721  -15.2481
            27  N5x N    27.9121  -13.8950
            28  O5x O    26.8112  -15.8803
            29  C8x C    30.2721  -13.9008
            30  C8y C    29.1188  -13.2276
            31  N1a N    29.1188  -11.9034
            32  C1c C    15.2278  -15.3949
            33  C1c C    15.2327  -14.0033
            34  C1b C    14.0300  -13.3034
            35  O1a O    14.0348  -11.9118
            36  N1b N    15.0148  -18.4148
            37  O1a O    16.4305  -13.3117
            38  O1a O    14.0127  -16.0832
            39  C5a C    15.0145  -19.8074
            40  O5a O    16.2205  -20.5032
            41  C1a C    13.8094  -20.5032
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1 #Down
            12    8  13 1
            13    8  14 1
            14    8  15 2
            15   13  16 1
            16   17  16 1 #Up
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 1 #Up
            23   21  24 1 #Down
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   25  28 2
            28   26  29 2
            29   27  30 2
            30   30  31 1
            31    7  11 1
            32   20  21 1
            33   29  30 1
            34    6  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   11  36 1 #Up
            39   33  37 1 #Up
            40   32  38 1 #Down
            41   36  39 1
            42   39  40 2
            43   39  41 1

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