KEGG   COMPOUND: C16615Help
Entry
C16615                      Compound                               

Name
6-Methylthiopurine 5'-monophosphate ribonucleotide;
6-Methylthioinosine-5'-monophosphate
Formula
C11H15N4O7PS
Exact mass
378.0399
Mol weight
378.2982
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Enzyme
2.1.1.67        2.4.2.8
Other DBs
CAS: 7021-52-5
PubChem: 51090941
ChEBI: 80609
NIKKAJI: J437.666H
KCF data Show

ATOM        24
            1   N4y N    27.8600  -18.5500
            2   C8y C    29.1200  -18.1300
            3   C1y C    26.2500  -19.0400
            4   C8x C    27.0200  -17.4300
            5   C8y C    29.1200  -16.7300
            6   N5x N    30.3800  -18.8300
            7   O2x O    25.1300  -18.2000
            8   C1y C    25.8300  -20.3700
            9   N5x N    27.8600  -16.3100
            10  C8y C    30.3800  -16.0300
            11  C8x C    31.5000  -18.1300
            12  C1y C    24.0100  -19.0400
            13  C1y C    24.4300  -20.3700
            14  O1a O    26.6000  -21.3500
            15  N5x N    31.5000  -16.7300
            16  S2a S    30.3800  -14.8400
            17  C1b C    22.7500  -18.6200
            18  O1a O    23.6600  -21.3500
            19  O2b O    22.4700  -17.2900
            20  P1b P    21.0700  -17.2900
            21  O1c O    19.6700  -17.2900
            22  O1c O    21.0700  -15.8900
            23  O1c O    21.0700  -18.6200
            24  C1a C    31.5924  -14.1400
BOND        26
            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   16  24 1

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