KEGG   COMPOUND: C04030Help
Entry
C04030                      Compound                               

Name
(2,3-Dihydroxybenzoyl)adenylate
Formula
C17H18N5O10P
Exact mass
483.0791
Mol weight
483.3261
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        33
            1   N4y N    30.8684  -14.5450
            2   C8y C    31.9424  -15.2863
            3   C1y C    29.5839  -14.9652
            4   C8x C    31.3529  -13.1438
            5   C8y C    33.1802  -14.3756
            6   N5x N    32.0768  -16.7108
            7   O2x O    28.4397  -14.1070
            8   C1y C    29.1520  -16.2204
            9   N5x N    32.8065  -13.1496
            10  C8y C    34.4411  -14.9301
            11  C8x C    33.4079  -17.3003
            12  C1y C    27.3305  -14.9067
            13  C1y C    27.7625  -16.2204
            14  O1a O    29.8116  -17.3587
            15  N5x N    34.6047  -16.4247
            16  N1a N    35.5504  -14.1012
            17  C1b C    26.0052  -14.4749
            18  O1a O    27.3130  -17.5456
            19  O2b O    24.9660  -15.4030
            20  P1b P    23.5651  -15.4030
            21  O7a O    22.1697  -15.4030
            22  O1c O    23.5591  -16.8041
            23  O1c O    23.5591  -14.0078
            24  C7a C    20.9612  -14.7026
            25  C8y C    19.7527  -15.3972
            26  O6a O    20.9612  -13.3072
            27  C8y C    19.7527  -16.7924
            28  C8x C    18.5443  -14.7026
            29  C8y C    18.5443  -17.4930
            30  C8x C    17.3301  -15.3972
            31  C8x C    17.3301  -16.7924
            32  O1a O    20.9629  -17.4896
            33  O1a O    18.5456  -18.8897
BOND        36
            1     3   1 1 #Up
            2     1   4 1
            3     2   5 2
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     4   9 2
            8     5  10 1
            9     6  11 2
            10    7  12 1
            11    8  13 1
            12    8  14 1 #Down
            13   10  15 2
            14   10  16 1
            15   12  17 1 #Up
            16   13  18 1 #Down
            17   17  19 1
            18   19  20 1
            19   20  21 1
            20   20  22 1
            21   20  23 2
            22   21  24 1
            23   24  25 1
            24   24  26 2
            25   25  27 1
            26   25  28 2
            27   27  29 2
            28   28  30 1
            29   29  31 1
            30    5   9 1
            31   11  15 1
            32   12  13 1
            33   30  31 2
            34   27  32 1
            35    1   2 1
            36   29  33 1

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