KEGG   COMPOUND: C05125Help
Entry
C05125                      Compound                               

Name
2-(alpha-Hydroxyethyl)thiamine diphosphate;
2-Hydroxyethyl-ThPP
Formula
C14H23N4O8P2S
Exact mass
469.0712
Mol weight
469.3669
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Glycolysis / Gluconeogenesis
Citrate cycle (TCA cycle)
Pyruvate metabolism
Metabolic pathways
Enzyme
1.2.4.1         2.2.1.6         4.1.1.1
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   N5y N    24.4191  -21.3840 #+
            2   C8y C    25.5627  -20.5757
            3   C8y C    24.8378  -22.7204
            4   C1b C    22.9259  -20.5029
            5   S2x S    26.6815  -21.4130
            6   C1c C    25.5786  -19.1753
            7   C8y C    26.2330  -22.7336
            8   C1a C    24.0677  -23.7043
            9   C8y C    21.7166  -21.2040
            10  C1a C    24.3822  -18.4623
            11  O1a O    26.8013  -18.4936
            12  C8y C    21.7166  -22.6118
            13  C8x C    20.4898  -20.5087
            14  N5x N    20.4898  -23.3305
            15  N1a N    22.7159  -23.7329
            16  N5x N    19.2863  -21.2040
            17  C8y C    19.2863  -22.6118
            18  C1a C    18.0770  -23.3129
            19  C1b C    27.4624  -23.4500
            20  C1b C    28.6749  -22.7500
            21  O2b O    29.9060  -23.4610
            22  P1b P    31.3060  -23.4610
            23  O2c O    32.7060  -23.4610
            24  P1b P    34.1060  -23.4610
            25  O1c O    35.5060  -23.4610
            26  O1c O    31.3060  -22.0610
            27  O1c O    34.1060  -22.0610
            28  O1c O    31.3060  -24.8610
            29  O1c O    34.1060  -24.8610
BOND        30
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    6  11 1
            11    9  12 2
            12    9  13 1
            13   12  14 1
            14   12  15 1
            15   13  16 2
            16   14  17 2
            17   17  18 1
            18    5   7 1
            19   16  17 1
            20    7  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   22  26 2
            28   24  27 2
            29   22  28 1
            30   24  29 1

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