KEGG   COMPOUND: C13740
Entry
C13740                      Compound                               
Name
alpha,beta-Methylene ATP
Formula
C11H18N5O12P3
Exact mass
505.0165
Mol weight
505.2082
Structure
Other DBs
PubChem: 586329
ChEBI: 35056
PDB-CCD: APC[PDBj]
NIKKAJI: J212.289H
KCF data

ATOM        31
            1   P1b P    22.7241  -19.6888
            2   O2c O    21.3280  -19.6888
            3   O1c O    22.7183  -21.0850
            4   O1c O    22.7183  -18.2869
            5   P1b P    19.9263  -19.6830
            6   O1c O    19.9205  -21.0791
            7   O1c O    18.5304  -19.6715
            8   O1c O    19.9205  -18.2812
            9   N4y N    32.8214  -18.7902
            10  C8y C    33.8787  -19.5262
            11  C1y C    31.5365  -19.2051
            12  C8x C    33.3005  -17.3942
            13  C8y C    35.1111  -18.6207
            14  N5x N    34.0188  -20.9457
            15  O2x O    30.3976  -18.3523
            16  C1y C    31.1044  -20.4551
            17  N5x N    34.7492  -17.3299
            18  C8y C    36.3672  -19.1699
            19  C8x C    35.3391  -21.5356
            20  C1y C    29.2875  -19.1465
            21  C1y C    29.7200  -20.4551
            22  O1a O    31.9103  -21.5941
            23  N5x N    36.5308  -20.6536
            24  N1a N    37.4770  -18.3463
            25  C1b C    27.9675  -18.7203
            26  O1a O    29.2757  -21.7751
            27  O2b O    26.9337  -19.6548
            28  P1b P    25.5318  -19.6548
            29  O1c O    25.5261  -21.0508
            30  O1c O    25.5261  -18.2585
            31  C1b C    24.1298  -19.6553
BOND        33
            1     5   8 2
            2     1   2 1
            3     1   3 1
            4     1   4 2
            5     2   5 1
            6     5   6 1
            7     9  10 1
            8    11   9 1 #Up
            9     9  12 1
            10   10  13 2
            11   10  14 1
            12   11  15 1
            13   11  16 1
            14   12  17 2
            15   13  18 1
            16   14  19 2
            17   15  20 1
            18   16  21 1
            19   16  22 1 #Down
            20   18  23 2
            21   18  24 1
            22   20  25 1 #Up
            23   21  26 1 #Down
            24   25  27 1
            25   27  28 1
            26   28  29 1
            27   28  30 2
            28   13  17 1
            29   19  23 1
            30   20  21 1
            31    5   7 1
            32   28  31 1
            33   31   1 1

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