KEGG   COMPOUND: C02691
Entry
C02691                      Compound                               
Name
Heteropyrithiamine;
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]pyridinium
Formula
C11H13N4
Exact mass
201.114
Mol weight
201.2477
Structure
Reaction
R02863
Enzyme
2.5.1.2
Other DBs
PubChem: 5659
ChEBI: 11222
3DMET: B00484
NIKKAJI: J2.739.420E
LinkDB
KCF data

ATOM        15
            1   C8y C    25.0181  -15.1773
            2   C8y C    25.0181  -16.5791
            3   C1b C    26.2271  -14.4707
            4   C8x C    23.7916  -14.4765
            5   N5x N    23.7916  -17.2975
            6   N1a N    26.2271  -17.2859
            7   N5y N    27.4418  -15.1599 #+
            8   N5x N    22.5884  -15.1773
            9   C8y C    22.5884  -16.5791
            10  C8x C    27.4418  -16.5557
            11  C8x C    28.6391  -14.4531
            12  C1a C    21.3794  -17.2799
            13  C8x C    28.6508  -17.2449
            14  C8x C    29.8540  -15.1423
            15  C8x C    29.7898  -16.5440
BOND        16
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     7  10 2
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 2
            14   13  15 2
            15    8   9 1
            16   14  15 1

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