KEGG   COMPOUND: C13817
Entry
C13817                      Compound                               

Name
8-Br-cGMP;
8-Bromocyclic GMP
Formula
C10H11BrN5O7P
Exact mass
422.9579
Mol weight
424.1014
Structure
Other DBs
CAS: 31356-94-2
PubChem: 854062
ChEBI: 64108
ChEMBL: CHEMBL1741141
PDB-CCD: 6J7[PDBj]
NIKKAJI: J314.094F
KCF data

ATOM        24
            1   C8y C    26.4944  -21.2795
            2   N4y N    25.4361  -20.5469
            3   C8y C    27.7213  -20.3782
            4   N5x N    26.6281  -22.6924
            5   C1y C    24.1510  -20.9596
            6   C8y C    25.9070  -19.1570
            7   N5x N    27.3491  -19.1629
            8   C8y C    28.9715  -20.9306
            9   C8y C    27.9482  -23.2798
            10  C1y C    23.7265  -22.2039
            11  O2x O    23.0230  -20.1165
            12  N4x N    29.1285  -22.4074
            13  O5x O    30.0704  -20.1108
            14  N1a N    28.1051  -24.7450
            15  C1y C    22.3543  -22.2039
            16  O1a O    24.3778  -23.3379
            17  C1y C    21.9241  -20.9015
            18  O2x O    21.3658  -23.1866
            19  C1x C    20.7384  -20.4013
            20  P1b P    19.8541  -22.7623
            21  O2x O    19.7033  -21.2616
            22  O1c O    19.9124  -24.1519
            23  O1c O    18.4116  -22.3438
            24  X   Br   25.1024  -18.0295
BOND        27
            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   10  16 1 #Down
            16   11  17 1
            17   15  18 1 #Down
            18   17  19 1 #Up
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 2
            23    6   7 2
            24    9  12 1
            25   15  17 1
            26   20  21 1
            27    6  24 1

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