KEGG   COMPOUND: C20419
Entry
C20419                      Compound                               

Name
CMP-N,N'-diacetyllegionaminate
Formula
C22H34N5O15P
Exact mass
639.1789
Mol weight
639.5036
Structure
Reaction
Pathway
map00520  Amino sugar and nucleotide sugar metabolism
map01100  Metabolic pathways
map01250  Biosynthesis of nucleotide sugars
Enzyme
Other DBs
PubChem: 163312156
KCF data

ATOM        43
            1   C1y C    26.7501  -30.6661
            2   C1y C    27.1704  -31.9970
            3   C1y C    28.5714  -31.9970
            4   C1y C    28.9916  -30.6661
            5   O2x O    27.8709  -29.8254
            6   C1b C    25.4192  -30.1758
            7   N4y N    30.3225  -30.3158
            8   C8y C    31.5134  -31.0163
            9   C8x C    30.3225  -28.9148
            10  N5x N    32.7743  -30.3158
            11  O5x O    31.5134  -32.4173
            12  C8x C    31.5134  -28.2144
            13  C8y C    32.7743  -28.9148
            14  N1a N    33.9650  -28.2144
            15  O1a O    29.3995  -33.1269
            16  O1a O    26.3422  -33.1269
            17  O2b O    24.3424  -31.0721
            18  P1b P    22.9415  -31.0721
            19  O1c O    22.9415  -29.6711
            20  O1c O    22.9415  -32.4730
            21  C1y C    17.6401  -30.7567
            22  C1y C    17.6401  -32.1619
            23  O2x O    18.8587  -30.0629
            24  C1c C    16.4215  -30.0629
            25  C1y C    18.8587  -32.8673
            26  N1b N    16.4215  -32.8673
            27  C1z C    20.0655  -30.7567
            28  C1c C    16.4273  -28.6576
            29  N1b N    15.2086  -30.7567
            30  C1x C    20.0655  -32.1619
            31  O1a O    18.8587  -34.2665
            32  C5a C    16.4273  -34.2606
            33  O2b O    21.4122  -31.1181
            34  C1a C    15.2086  -27.9522
            35  O1a O    17.6401  -27.9522
            36  C1a C    15.2203  -34.9603
            37  O5a O    17.6341  -34.9546
            38  C5a C    13.9787  -30.0401
            39  C1a C    12.7814  -30.7253
            40  O5a O    13.9841  -28.6371
            41  C6a C    20.0655  -29.3554
            42  O6a O    21.3115  -28.6360
            43  O6a O    19.2915  -28.4552
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Up
            7     7   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 2
            11    9  12 2
            12   10  13 2
            13   13  14 1
            14   12  13 1
            15    4   7 1 #Up
            16    3  15 1 #Down
            17    2  16 1 #Down
            18    6  17 1
            19   17  18 1
            20   18  19 2
            21   18  20 1
            22   21  22 1
            23   21  23 1
            24   21  24 1
            25   22  25 1
            26   22  26 1 #Up
            27   23  27 1
            28   24  28 1
            29   24  29 1 #Down
            30   25  30 1
            31   25  31 1 #Down
            32   26  32 1
            33   27  33 1 #Up
            34   28  34 1
            35   28  35 1 #Up
            36   32  36 1
            37   32  37 2
            38   27  30 1
            39   29  38 1
            40   38  39 1
            41   38  40 2
            42   18  33 1
            43   27  41 1 #Down
            44   41  42 1
            45   41  43 2

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