KEGG   COMPOUND: C13742
Entry
C13742                      Compound                               
Name
Adenosine 5-O-(3-thiotriphophate);
ATP-gamma-S;
Adenosine 5'-(gamma-thio)triphosphate
Formula
C10H16N5O12P3S
Exact mass
522.9729
Mol weight
523.25
Structure
Other DBs
PubChem: 586331
ChEBI: 27575
PDB-CCD: AGS[PDBj]
NIKKAJI: J351.688A
KCF data

ATOM        31
            1   N4y N    30.2245  -23.0013
            2   C8y C    31.2816  -23.7373
            3   C1y C    28.9393  -23.4164
            4   C8x C    30.7034  -21.6052
            5   C8y C    32.5140  -22.8320
            6   N5x N    31.4217  -25.1570
            7   O2x O    27.8003  -22.5633
            8   C1y C    28.5071  -24.6662
            9   N5x N    32.1521  -21.6112
            10  C8y C    33.7701  -23.3812
            11  C8x C    32.7422  -25.7467
            12  C1y C    26.6904  -23.3578
            13  C1y C    27.1228  -24.6662
            14  O1a O    29.3131  -25.8052
            15  N5x N    33.9337  -24.8647
            16  N1a N    34.8799  -22.5574
            17  C1b C    25.3705  -22.9313
            18  O1a O    26.6787  -25.9862
            19  O2b O    24.3365  -23.8660
            20  P1b P    22.9346  -23.8660
            21  O1c O    22.9289  -25.2619
            22  O1c O    22.9289  -22.4698
            23  O2c O    21.5328  -23.8664
            24  P1b P    20.1268  -23.8534
            25  O2c O    18.7308  -23.8534
            26  O1c O    20.1211  -25.2495
            27  O1c O    20.1211  -22.4513
            28  P1b P    17.3289  -23.8474
            29  O1c O    17.3232  -25.2435
            30  S1a S    15.9331  -23.8825
            31  O1c O    17.3232  -22.4458
BOND        33
            1     5  10 1
            2     6  11 2
            3     7  12 1
            4     8  13 1
            5     8  14 1 #Down
            6    10  15 2
            7    10  16 1
            8    12  17 1 #Up
            9    13  18 1 #Down
            10   17  19 1
            11   19  20 1
            12   20  21 1
            13   20  22 2
            14    5   9 1
            15   11  15 1
            16   12  13 1
            17   20  23 1
            18    1   2 1
            19    3   1 1 #Up
            20    1   4 1
            21    2   5 2
            22    2   6 1
            23    3   7 1
            24    3   8 1
            25    4   9 2
            26   24  25 1
            27   24  26 1
            28   24  27 2
            29   25  28 1
            30   28  29 1
            31   28  30 1
            32   28  31 2
            33   23  24 1

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