KEGG   COMPOUND: C18076
Entry
C18076                      Compound                               

Name
5'-Phosphoguanylyl(3'->5')guanosine
Formula
C20H26N10O15P2
Exact mass
708.1054
Mol weight
708.426
Structure
Reaction
Pathway
map02025  Biofilm formation - Pseudomonas aeruginosa
map05111  Biofilm formation - Vibrio cholerae
Enzyme
Other DBs
PubChem: 96024293
ChEBI: 48622
NIKKAJI: J2.585.053J
LinkDB
KCF data

ATOM        47
            1   C8y C    29.1200  -23.1700
            2   N4y N    28.0700  -22.4700
            3   C8y C    30.3800  -22.2600
            4   N5x N    29.1200  -24.6400
            5   C1y C    26.8100  -22.8900
            6   C8x C    28.5600  -21.0700
            7   N5x N    30.0300  -21.0700
            8   C8y C    31.6400  -22.8200
            9   C8y C    30.5900  -25.2000
            10  O2x O    25.6200  -21.9800
            11  C1y C    26.3200  -24.1500
            12  N4x N    31.7800  -24.2900
            13  O5x O    32.7600  -21.9800
            14  N1a N    30.5900  -26.6000
            15  C1y C    24.5700  -22.8200
            16  C1y C    24.9900  -24.1500
            17  O1a O    27.1600  -25.2700
            18  C1b C    23.2400  -22.4000
            19  O1a O    24.5000  -25.4100
            20  O2b O    23.2400  -21.0000
            21  P1b P    23.2400  -19.6000
            22  O2b O    23.2400  -18.2000
            23  O1c O    24.6400  -19.6000
            24  O1c O    21.8400  -19.6000
            25  C8y C    27.8600  -15.9600
            26  N4y N    26.8100  -15.2600
            27  C8y C    29.1200  -15.0500
            28  N5x N    27.8600  -17.4300
            29  C1y C    25.5500  -15.6800
            30  C8x C    27.3000  -13.8600
            31  N5x N    28.7700  -13.8600
            32  C8y C    30.3800  -15.6100
            33  C8y C    29.3300  -17.9900
            34  O2x O    24.3600  -14.7700
            35  C1y C    25.0600  -16.9400
            36  N4x N    30.5200  -17.0800
            37  O5x O    31.5000  -14.7700
            38  N1a N    29.3300  -19.3900
            39  C1y C    23.3100  -15.6100
            40  C1y C    23.7300  -16.9400
            41  O1a O    25.9000  -18.0600
            42  C1b C    21.9800  -15.1900
            43  O2b O    20.9300  -16.1000
            44  P1b P    19.5300  -16.1000
            45  O1c O    19.5300  -17.5000
            46  O1c O    18.1300  -16.1000
            47  O1c O    19.5300  -14.7000
BOND        52
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     5   2 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    8  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1 #Down
            17   15  18 1 #Up
            18   16  19 1 #Down
            19    6   7 2
            20    9  12 1
            21   15  16 1
            22   18  20 1
            23   20  21 1
            24   21  22 1
            25   21  23 2
            26   21  24 1
            27   25  26 1
            28   25  27 2
            29   25  28 1
            30   29  26 1 #Up
            31   26  30 1
            32   27  31 1
            33   27  32 1
            34   28  33 2
            35   29  34 1
            36   29  35 1
            37   32  36 1
            38   32  37 2
            39   33  38 1
            40   34  39 1
            41   35  40 1
            42   35  41 1 #Down
            43   39  42 1 #Up
            44   40  22 1 #Down
            45   42  43 1
            46   43  44 1
            47   44  45 1
            48   44  46 1
            49   44  47 2
            50   30  31 2
            51   33  36 1
            52   39  40 1

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