KEGG   COMPOUND: C04646Help
Entry
C04646                      Compound                               

Name
6-Thioinosine-5'-monophosphate;
9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine
Formula
C10H13N4O7PS
Exact mass
364.0243
Mol weight
364.2716
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Enzyme
1.1.1.205       2.1.1.67        2.4.2.8         2.7.4.-         
3.6.1.-
Other DBs
CAS: 53-83-8
PubChem: 7235
ChEBI: 2332
ChEMBL: CHEMBL1237125
NIKKAJI: J213.539F
KCF data Show

ATOM        23
            1   N4y N    27.9300  -17.8500
            2   C8y C    29.2600  -17.4300
            3   C1y C    26.2500  -18.6900
            4   C8x C    27.0900  -16.7300
            5   C8y C    29.2600  -16.0300
            6   N5x N    30.4500  -18.0600
            7   O2x O    25.1300  -17.8500
            8   C1y C    25.8300  -19.9500
            9   N5x N    27.9300  -15.6100
            10  C8y C    30.4500  -15.3300
            11  C8x C    31.6400  -17.4300
            12  C1y C    24.0100  -18.6900
            13  C1y C    24.4300  -19.9500
            14  O1a O    26.6000  -21.0000
            15  N5x N    31.6400  -16.0300
            16  S1a S    30.4500  -14.1400
            17  C1b C    22.6800  -18.2700
            18  O1a O    23.5900  -21.0000
            19  O2b O    22.4700  -16.8700
            20  P1b P    21.0700  -16.8700
            21  O1c O    19.6700  -16.8700
            22  O1c O    21.0700  -15.5400
            23  O1c O    21.0700  -18.2700
BOND        25
            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

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