KEGG   COMPOUND: C13744Help
Entry
C13744                      Compound                               

Name
3'-O-(4-Benzoyl)benzoyl ATP;
BzATP
Formula
C24H24N5O15P3
Exact mass
715.0482
Mol weight
715.3931
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 81790-82-1
PubChem: 586333
ChEBI: 34316
ChEMBL: CHEMBL2407634
NIKKAJI: J413.969K
KCF data Show

ATOM        47
            1   P1b P    22.7189  -15.9167
            2   O2c O    21.3202  -15.9167
            3   O1c O    22.7833  -17.3158
            4   O1c O    22.7833  -14.5121
            5   P1b P    19.9153  -15.9576
            6   O1c O    19.9797  -17.3565
            7   O1c O    18.5167  -15.9460
            8   O1c O    19.9797  -14.5530
            9   N4y N    32.8371  -15.0632
            10  C8y C    33.8965  -15.8006
            11  C1y C    31.5493  -15.4788
            12  C8x C    33.3171  -13.6643
            13  C8y C    35.1314  -14.8933
            14  N5x N    34.0369  -17.2230
            15  O2x O    30.4081  -14.6242
            16  C1y C    31.1164  -16.7314
            17  N5x N    34.7686  -13.6700
            18  C8y C    36.3899  -15.4436
            19  C8x C    35.3599  -17.8141
            20  C1y C    29.2959  -15.4201
            21  C1y C    29.7291  -16.7314
            22  O1a O    31.9240  -17.8726
            23  N5x N    36.5538  -16.9303
            24  N1a N    37.5021  -14.6184
            25  C1b C    27.9732  -14.9931
            26  O7a O    29.2841  -18.0540
            27  O2b O    26.9373  -15.9294
            28  P1b P    25.5324  -15.9294
            29  O1c O    25.5268  -17.3283
            30  O1c O    25.5268  -14.5304
            31  O2c O    24.1277  -15.9299
            32  C7a C    29.2841  -19.4540
            33  C8y C    28.0511  -20.1660
            34  O6a O    30.4809  -20.1452
            35  C8x C    26.8503  -19.4727
            36  C8x C    25.6378  -20.1727
            37  C8y C    25.6378  -21.5727
            38  C8x C    26.8386  -22.2660
            39  C8x C    28.0510  -21.5660
            40  C5a C    24.4076  -22.2600
            41  C8y C    23.1951  -21.5600
            42  C8x C    23.1951  -20.1602
            43  C8x C    21.9827  -19.4602
            44  C8x C    20.7703  -20.1602
            45  C8x C    20.7703  -21.5600
            46  C8x C    21.9827  -22.2600
            47  O5a O    24.3977  -23.6596
BOND        51
            1    14  19 2
            2    15  20 1
            3    16  21 1
            4    16  22 1 #Down
            5    18  23 2
            6    18  24 1
            7    20  25 1 #Up
            8    21  26 1 #Down
            9    25  27 1
            10   27  28 1
            11   28  29 1
            12   28  30 2
            13   13  17 1
            14   19  23 1
            15   20  21 1
            16    5   7 1
            17   28  31 1
            18   31   1 1
            19    5   8 2
            20    1   2 1
            21    1   3 1
            22    1   4 2
            23    2   5 1
            24    5   6 1
            25    9  10 1
            26   11   9 1 #Up
            27    9  12 1
            28   10  13 2
            29   10  14 1
            30   11  15 1
            31   11  16 1
            32   12  17 2
            33   13  18 1
            34   26  32 1
            35   32  33 1
            36   32  34 2
            37   33  35 2
            38   35  36 1
            39   36  37 2
            40   37  38 1
            41   38  39 2
            42   33  39 1
            43   37  40 1
            44   40  41 1
            45   41  42 2
            46   42  43 1
            47   43  44 2
            48   44  45 1
            49   45  46 2
            50   41  46 1
            51   40  47 2

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