KEGG   COMPOUND: C19787
Entry
C19787                      Compound                               
Name
5'-S-Methyl-5'-thioinosine;
5'-Deoxy-5'-methylthioinosine;
S-Methyl-5'-thioinosine
Formula
C11H14N4O4S
Exact mass
298.0736
Mol weight
298.32
Structure
Reaction
R09660 R09668
Pathway
map00270  Cysteine and methionine metabolism
map01100  Metabolic pathways
Enzyme
2.4.2.44        3.5.4.31
Other DBs
CAS: 17298-58-7
PubChem: 135626254
LinkDB
KCF data

ATOM        20
            1   C1y C    20.7814  -17.4613
            2   O2x O    19.6813  -16.6702
            3   C1y C    20.3830  -18.7041
            4   C1y C    18.6049  -17.4315
            5   C1y C    19.0391  -18.7041
            6   O1a O    21.1620  -19.7865
            7   O1a O    18.2778  -19.7865
            8   N4y N    22.1530  -17.0091
            9   C8y C    23.3118  -17.8434
            10  C8y C    24.4635  -16.9992
            11  N5x N    24.0163  -15.6430
            12  C8x C    22.5885  -15.6492
            13  N5x N    23.4672  -19.2623
            14  C8x C    24.7736  -19.8372
            15  N4x N    25.9252  -18.9929
            16  C8y C    25.7699  -17.5741
            17  O5x O    26.9275  -16.7252
            18  C1b C    17.2291  -16.9857
            19  S2a S    15.9889  -17.7289
            20  C1a C    14.7527  -17.0153
BOND        22
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     5   7 1 #Down
            7     4   5 1
            8     1   8 1 #Up
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    8  12 1
            14    9  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 1
            18   10  16 1
            19   16  17 2
            20    4  18 1 #Up
            21   18  19 1
            22   19  20 1

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