KEGG   COMPOUND: C06433
Entry
C06433                      Compound                               

Name
5'-Benzoylphosphoadenosine
Formula
C17H18N5O8P
Exact mass
451.0893
Mol weight
451.3273
Structure
Reaction
Pathway
map00230  Purine metabolism
Enzyme
Other DBs
PubChem: 8667
ChEBI: 156046 1955
PDB-CCD: OOB[PDBj]
3DMET: B02024
NIKKAJI: J396.565A
LinkDB
KCF data

ATOM        31
            1   N4y N    30.8728  -19.7979
            2   C8y C    31.9467  -20.5391
            3   C1y C    29.5885  -20.2180
            4   C8x C    31.3573  -18.3969
            5   C8y C    33.1843  -19.6286
            6   N5x N    32.0811  -21.9634
            7   O2x O    28.4445  -19.3599
            8   C1y C    29.1567  -21.4730
            9   N5x N    32.8107  -18.4027
            10  C8y C    34.4451  -20.1830
            11  C8x C    33.4120  -22.5528
            12  C1y C    27.3354  -20.1596
            13  C1y C    27.7674  -21.4730
            14  O1a O    29.8162  -22.6112
            15  N5x N    34.6086  -21.6773
            16  N1a N    35.5542  -19.3542
            17  C1b C    26.0103  -19.7278
            18  O1a O    27.3180  -22.7981
            19  O2b O    24.9713  -20.6558
            20  P1b P    23.5705  -20.6558
            21  O7a O    22.1754  -20.6558
            22  O1c O    23.5646  -22.0567
            23  O1c O    23.5646  -19.2607
            24  C7a C    20.9671  -19.9555
            25  C8y C    19.7588  -20.6500
            26  O6a O    20.9671  -18.5603
            27  C8x C    19.7588  -22.0450
            28  C8x C    18.5505  -19.9555
            29  C8x C    18.5505  -22.7455
            30  C8x C    17.3364  -20.6500
            31  C8x C    17.3364  -22.0450
BOND        34
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 2
            26   25  27 1
            27   25  28 2
            28   27  29 2
            29   28  30 1
            30   29  31 1
            31    5   9 1
            32   11  15 1
            33   12  13 1
            34   30  31 2

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