KEGG   COMPOUND: C04908Help
Entry
C04908                      Compound                               

Name
1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;
Oxypyrithiamine bromide;
Oxypyrithiamine
Formula
C14H18N3O2. Br
Exact mass
339.0582
Mol weight
340.2156
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        20
            1   N5y N    22.1787  -15.5202 #+
            2   C8y C    23.3995  -14.8134
            3   C1b C    22.1554  -16.9104
            4   C8x C    20.9756  -14.8134
            5   C8y C    23.3995  -13.4058
            6   C1a C    24.5969  -15.5026
            7   C8y C    20.9405  -17.5820
            8   C8x C    20.9756  -13.4058
            9   C8x C    22.1787  -12.7166
            10  C1b C    24.5969  -12.7049
            11  C8y C    20.9112  -18.9839
            12  C8x C    19.7372  -16.8520
            13  C1b C    25.8060  -13.3999
            14  N5x N    19.6730  -19.6497
            15  O1a O    22.1086  -19.6965
            16  N5x N    18.4814  -17.4711
            17  C8y C    18.4756  -18.9197
            18  C1a C    17.2549  -19.5855
            19  O1a O    27.0149  -12.6988
            20  X   Br   24.6027  -18.3531 #-
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 2
            11    7  12 1
            12   10  13 1
            13   11  14 1
            14   11  15 1
            15   12  16 2
            16   14  17 2
            17   17  18 1
            18    8   9 2
            19   16  17 1
            20   13  19 1

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