KEGG   COMPOUND: C16617Help
Entry
C16617                      Compound                               

Name
6-Mercaptopurine ribonucleoside triphosphate;
6-Thioinosine-5'-triphosphate
Formula
C10H15N4O13P3S
Exact mass
523.9569
Mol weight
524.2314
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Enzyme
2.7.4.-         3.6.1.-
Other DBs
CAS: 27652-34-2
PubChem: 51090943
ChEBI: 80611
NIKKAJI: J413.561J
KCF data Show

ATOM        31
            1   N4y N    30.4500  -18.0600
            2   C8y C    31.7800  -17.6400
            3   C1y C    29.0500  -18.6900
            4   C8x C    29.5400  -16.9400
            5   C8y C    31.7800  -16.2400
            6   N5x N    32.9700  -18.2700
            7   O2x O    27.9300  -17.8500
            8   C1y C    28.6300  -19.9500
            9   N5x N    30.4500  -15.8200
            10  C8y C    32.9700  -15.5400
            11  C8x C    34.1600  -17.6400
            12  C1y C    26.8100  -18.6900
            13  C1y C    27.2300  -19.9500
            14  O1a O    29.4000  -21.0000
            15  N5x N    34.1600  -16.2400
            16  S1a S    32.9700  -14.3500
            17  C1b C    25.4800  -18.2700
            18  O1a O    26.3900  -21.0000
            19  O2b O    25.2700  -16.8700
            20  P1b P    23.8700  -16.8700
            21  O2c O    22.4700  -16.8700
            22  O1c O    23.8700  -15.5400
            23  O1c O    23.8700  -18.2700
            24  P1b P    21.0700  -16.8700
            25  O2c O    19.6700  -16.8700
            26  O1c O    21.0700  -18.2700
            27  O1c O    21.0700  -15.4700
            28  P1b P    18.2700  -16.8700
            29  O1c O    16.8700  -16.8700
            30  O1c O    18.2700  -18.2700
            31  O1c O    18.2700  -15.4700
BOND        33
            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    5   9 1
            24   11  15 1
            25   12  13 1
            26   21  24 1
            27   24  25 1
            28   24  26 2
            29   24  27 1
            30   25  28 1
            31   28  29 1
            32   28  30 2
            33   28  31 1

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