KEGG   COMPOUND: C22251
Entry
C22251                      Compound                               

Name
CMP-5-N-acetyl-7-N-(D-alanyl)-legionaminic acid;
CMP-Leg5Ac7Ala
Formula
C23H37N6O15P
Exact mass
668.2055
Mol weight
668.5448
Structure
Reaction
Pathway
map00541  O-Antigen nucleotide sugar biosynthesis
map01100  Metabolic pathways
Enzyme
2.7.7.-
LinkDB
KCF data

ATOM        45
            1   C1y C    36.1900  -18.9000
            2   C1y C    36.1900  -20.3000
            3   O2x O    37.3800  -18.2000
            4   C1c C    35.0000  -18.2000
            5   C1y C    37.3800  -21.0000
            6   N1b N    35.0000  -21.0000
            7   C1z C    38.6400  -18.9000
            8   C1c C    35.0000  -16.4500
            9   N1b N    33.8100  -18.9000
            10  C1x C    38.6400  -20.3000
            11  O1a O    37.3800  -22.3300
            12  C5a C    35.0000  -22.3300
            13  O2b O    39.9700  -19.2500
            14  C1a C    33.8100  -15.7500
            15  O1a O    36.1900  -15.7500
            16  C1a C    33.8100  -23.0300
            17  O5a O    36.1900  -23.0300
            18  C5a C    32.6200  -18.2000
            19  C1c C    31.4300  -18.9000
            20  O5a O    32.6200  -16.8000
            21  N1a N    30.1700  -18.2000
            22  C1a C    31.4300  -20.2300
            23  C1y C    45.2900  -18.7600
            24  C1y C    45.7100  -20.0900
            25  C1y C    47.1100  -20.0900
            26  C1y C    47.5300  -18.7600
            27  O2x O    46.4100  -17.9200
            28  C1b C    43.9600  -18.2700
            29  N4y N    48.8600  -18.4100
            30  C8y C    50.0500  -19.1100
            31  C8x C    48.8600  -17.0100
            32  N5x N    51.3100  -18.4100
            33  O5x O    50.0500  -20.5100
            34  C8x C    50.0500  -16.3100
            35  C8y C    51.3100  -17.0100
            36  N1a N    52.5000  -16.3100
            37  O1a O    47.9500  -21.2100
            38  O1a O    44.8700  -21.2100
            39  O2b O    42.9100  -19.1800
            40  P1b P    41.5100  -19.1800
            41  O1c O    41.5100  -17.7800
            42  O1c O    41.5100  -20.5800
            43  C6a C    38.6400  -17.5000
            44  O6a O    39.8300  -16.8000
            45  O6a O    37.8700  -16.6600
BOND        47
            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 #Up
            13    8  14 1
            14    8  15 1 #Up
            15   12  16 1
            16   12  17 2
            17    7  10 1
            18    9  18 1
            19   18  19 1
            20   18  20 2
            21   19  21 1 #Up
            22   19  22 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   23  27 1
            28   23  28 1 #Up
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   30  33 2
            33   31  34 2
            34   32  35 2
            35   35  36 1
            36   34  35 1
            37   26  29 1 #Up
            38   25  37 1 #Down
            39   24  38 1 #Down
            40   28  39 1
            41   39  40 1
            42   40  41 2
            43   40  42 1
            44   40  13 1
            45    7  43 1 #Down
            46   43  44 1
            47   43  45 2

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