KEGG   COMPOUND: C16616Help
Entry
C16616                      Compound                               

Name
6-Mercaptopurine ribonucleoside 5'-diphosphate;
6-Thioinosine-5'-diphosphate
Formula
C10H14N4O10P2S
Exact mass
443.9906
Mol weight
444.2515
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Enzyme
2.7.4.-
Other DBs
CAS: 805-63-0
PubChem: 51090942
ChEBI: 80610
NIKKAJI: J2.804.087C
KCF data Show

ATOM        27
            1   N4y N    29.4000  -17.9900
            2   C8y C    30.7300  -17.5700
            3   C1y C    27.6500  -18.6900
            4   C8x C    28.5600  -16.8700
            5   C8y C    30.7300  -16.1700
            6   N5x N    31.9200  -18.2000
            7   O2x O    26.5300  -17.8500
            8   C1y C    27.2300  -19.9500
            9   N5x N    29.4000  -15.7500
            10  C8y C    31.9200  -15.4700
            11  C8x C    33.1100  -17.5700
            12  C1y C    25.4100  -18.6900
            13  C1y C    25.8300  -19.9500
            14  O1a O    28.0000  -21.0000
            15  N5x N    33.1100  -16.1700
            16  S1a S    31.9200  -14.2800
            17  C1b C    24.0800  -18.2700
            18  O1a O    24.9900  -21.0000
            19  O2b O    23.8700  -16.8700
            20  P1b P    22.4700  -16.8700
            21  O2c O    21.0700  -16.8700
            22  O1c O    22.4700  -15.5400
            23  O1c O    22.4700  -18.2700
            24  P1b P    19.6700  -16.8700
            25  O1c O    18.2700  -16.8700
            26  O1c O    19.6700  -18.2700
            27  O1c O    19.6700  -15.4700
BOND        29
            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

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