KEGG   COMPOUND: C04905
Entry
C04905                      Compound                               
Name
1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;
Pyrithiamine bromide;
Pyrithiamine
Formula
C14H19N4O. Br
Exact mass
338.0742
Mol weight
339.2309
Structure
Reaction
Enzyme
Other DBs
PubChem: 7455
ChEBI: 15797
NIKKAJI: J2.760.276B
LinkDB
KCF data

ATOM        20
            1   N5y N    22.2017  -15.5208 #+
            2   C8y C    23.4219  -14.8084
            3   C1b C    22.1783  -16.9106
            4   C8x C    20.9930  -14.8084
            5   C8y C    23.4219  -13.4070
            6   C1a C    24.6190  -15.4974
            7   C8y C    20.9579  -17.5821
            8   C8x C    20.9930  -13.4070
            9   C8x C    22.2017  -12.7063
            10  C1b C    24.6190  -12.7063
            11  C8y C    20.9346  -18.9776
            12  C8x C    19.7550  -16.8521
            13  C1b C    25.8219  -13.4012
            14  N5x N    19.6965  -19.6491
            15  N1a N    22.1257  -19.6900
            16  N5x N    18.4995  -17.4653
            17  C8y C    18.4995  -18.9192
            18  C1a C    17.2793  -19.5791
            19  O1a O    27.0320  -12.7031
            20  X   Br   25.0103  -18.5280 #-
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

» Japanese version

DBGET integrated database retrieval system