KEGG   COMPOUND: C05856Help
Entry
C05856                      Compound                               

Name
Thiamine aldehyde;
Thiamin aldehyde
Formula
C12H15N4OS
Exact mass
263.0967
Mol weight
263.3387
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Thiamine metabolism
Metabolic pathways
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        18
            1   C1b C    29.2546  -15.0200
            2   C8y C    28.1032  -15.7062
            3   C8y C    26.9403  -15.0257
            4   C8x C    28.0974  -17.0494
            5   N5x N    25.7714  -15.6829
            6   N1a N    26.9344  -13.6709
            7   N5x N    26.9286  -17.7123
            8   C8y C    25.7655  -17.0320
            9   C1a C    24.5910  -17.7006
            10  N5y N    30.4935  -15.7122 #+
            11  C8y C    30.6565  -17.0733
            12  C8y C    32.0014  -17.3389
            13  S2x S    32.6696  -16.1419
            14  C8x C    31.7376  -15.1365
            15  C1a C    29.6284  -18.0264
            16  C1b C    32.5955  -18.6223
            17  C4a C    34.0139  -18.7505
            18  O4a O    34.8177  -17.6095
BOND        19
            1     1   2 1
            2     2   3 2
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 2
            8     8   9 1
            9     7   8 1
            10    1  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15   10  14 2
            16   11  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 2

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