KEGG   COMPOUND: C20419Help
Entry
C20419                      Compound                               

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

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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