KEGG   COMPOUND: C03028Help
Entry
C03028                      Compound                               

Name
Thiamin triphosphate;
Thiamine triphosphate
Formula
C12H20N4O10P3S
Exact mass
505.0113
Mol weight
505.2943
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Thiamine metabolism
Metabolic pathways
Enzyme
2.7.4.15        2.7.6.2         3.6.1.28
Other DBs
CAS: 
15666-52-1 3475-65-8
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   N5y N    21.8425  -16.5270 #+
            2   C1b C    20.6302  -15.8256
            3   C8y C    22.9617  -15.6976
            4   C8x C    22.2943  -17.8580
            5   C8y C    19.4195  -16.5216
            6   C8y C    24.1103  -16.5045
            7   C1a C    22.9870  -14.4719
            8   S2x S    23.6936  -17.8405
            9   C8y C    19.4195  -17.9254
            10  C8x C    18.2088  -15.8256
            11  N5x N    18.2088  -18.6212
            12  N1a N    20.6302  -18.6212
            13  N5x N    16.9982  -16.5216
            14  C8y C    16.9982  -17.9254
            15  C1a C    15.7816  -18.5513
            16  C1b C    25.2924  -15.8200
            17  C1b C    26.5049  -16.5200
            18  O2b O    27.7173  -15.8200
            19  P1b P    29.1173  -15.8200
            20  O2c O    30.5173  -15.8200
            21  P1b P    31.9173  -15.8200
            22  O2c O    33.3173  -15.8200
            23  P1b P    34.7173  -15.8200
            24  O1c O    36.1173  -15.8200
            25  O1c O    29.1173  -14.4200
            26  O1c O    29.1173  -17.2200
            27  O1c O    31.9173  -14.4200
            28  O1c O    31.9173  -17.2200
            29  O1c O    34.7173  -14.4200
            30  O1c O    34.7173  -17.2200
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    9  11 2
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   14  15 1
            15    6   8 1
            16   13  14 2
            17    6  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   19  25 2
            27   19  26 1
            28   21  27 2
            29   21  28 1
            30   23  29 2
            31   23  30 1

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