KEGG   DRUG: Cycotiamine
Entry
D09805                      Drug                                   
Name
Cycotiamine (JAN/INN)
Formula
C13H16N4O3S
Exact mass
308.0943
Mol weight
308.36
Structure
Simcomp
Efficacy
Supplement (vitamin B1)
Comment
Vitamin B1 derivative
Other DBs
CAS: 6092-18-8
PubChem: 124490545
LigandBox: D09805
LinkDB
KCF data

ATOM        21
            1   N5x N    16.8000  -15.6800
            2   C8y C    16.8000  -17.0800
            3   N5x N    17.9900  -17.7800
            4   C8x C    19.2500  -17.0800
            5   C8y C    19.2500  -15.6800
            6   C8y C    17.9900  -14.9800
            7   C1a C    15.6100  -17.7800
            8   C1b C    20.4400  -14.9800
            9   N1c N    21.6300  -15.6800
            10  N1a N    17.9900  -13.5800
            11  C4a C    22.8200  -14.9800
            12  C2c C    21.6300  -17.0800
            13  C2y C    22.8200  -17.7800
            14  C1a C    20.4400  -17.7800
            15  S2x S    24.0100  -17.0800
            16  C1x C    22.8200  -19.1800
            17  C1x C    24.0100  -19.8800
            18  O7x O    25.2000  -19.1800
            19  C7x C    25.2000  -17.7800
            20  O6a O    26.3900  -17.0800
            21  O4a O    24.0100  -15.6800
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    6  10 1
            11    9  11 1
            12    9  12 1
            13   12  13 2
            14   12  14 1
            15   13  15 1
            16   13  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  15 1
            21   19  20 2
            22   11  21 2

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