KEGG   COMPOUND: C00068Help
Entry
C00068                      Compound                               

Name
Thiamin diphosphate;
Thiamine diphosphate;
Thiamin pyrophosphate;
TPP;
ThPP
Formula
C12H19N4O7P2S
Exact mass
425.045
Mol weight
425.3144
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Glycolysis / Gluconeogenesis
Citrate cycle (TCA cycle)
Valine, leucine and isoleucine degradation
Pyruvate metabolism
Thiamine metabolism
Metabolic pathways
Vitamin digestion and absorption
Enzyme
1.2.4.1         1.2.4.2         1.2.4.4         2.2.1.1         
2.2.1.3         2.2.1.6         2.7.4.15        2.7.4.16        
2.7.6.2         3.6.1.15        3.6.1.28        4.1.1.1
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   N5y N    22.1981  -22.6675 #+
            2   C8y C    23.1854  -23.6608
            3   C1b C    20.9887  -21.9723
            4   C8x C    22.8465  -21.4172
            5   C8y C    24.4358  -23.0297
            6   C1a C    22.9634  -25.0397
            7   C8y C    19.7793  -22.6734
            8   S2x S    24.2254  -21.6451
            9   C1b C    25.6803  -23.6666
            10  C8y C    19.7793  -24.0756
            11  C8x C    18.5525  -21.9723
            12  C1b C    26.8546  -22.9130
            13  N5x N    18.5525  -24.7942
            14  N1a N    20.9887  -24.7825
            15  N5x N    17.3431  -22.6734
            16  O2b O    28.0989  -23.5497
            17  C8y C    17.3431  -24.0756
            18  C1a C    16.1337  -24.7767
            19  P1b P    29.4989  -23.5497
            20  O2c O    30.8989  -23.5497
            21  O1c O    29.4989  -22.1497
            22  O1c O    29.4989  -24.9497
            23  P1b P    32.2989  -23.5497
            24  O1c O    33.6989  -23.5497
            25  O1c O    32.2989  -22.1497
            26  O1c O    32.2989  -24.9497
BOND        27
            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     7  10 2
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 1
            14   11  15 2
            15   12  16 1
            16   13  17 2
            17   17  18 1
            18    5   8 1
            19   15  17 1
            20   16  19 1
            21   19  20 1
            22   19  21 2
            23   19  22 1
            24   20  23 1
            25   23  24 1
            26   23  25 2
            27   23  26 1

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