KEGG   COMPOUND: C21017
Entry
C21017                      Compound                               
Name
2-(alpha-Hydroxypropyl)thiamine diphosphate;
2-Hydroxypropyl-ThPP
Formula
C15H25N4O8P2S
Exact mass
483.0868
Mol weight
483.3935
Structure
Reaction
R10996 R10997
Pathway
map00640  Propanoate metabolism
map01100  Metabolic pathways
Enzyme
1.2.4.4
Other DBs
PubChem: 254741471
ChEBI: 190398
KCF data

ATOM        30
            1   N5y N    16.3504  -16.9244 #+
            2   C8y C    16.9911  -15.6838
            3   C8y C    17.3346  -17.9148
            4   C1b C    15.1387  -16.2313
            5   S2x S    18.3657  -15.9109
            6   C1c C    16.3619  -14.4372
            7   C8y C    18.5754  -17.2856
            8   C1a C    17.1772  -19.2952
            9   C8y C    13.9329  -16.9304
            10  C1b C    14.9757  -14.4258
            11  O1a O    17.1308  -13.2724
            12  C1b C    19.8161  -17.9264
            13  C8y C    13.9329  -18.3341
            14  C8x C    12.7097  -16.2371
            15  C1b C    20.9869  -17.1692
            16  N5x N    12.7097  -19.0507
            17  N1a N    15.1387  -19.0331
            18  N5x N    11.5098  -16.9304
            19  O2b O    22.2276  -17.8099
            20  C8y C    11.5098  -18.3341
            21  P1b P    23.3985  -17.0526
            22  C1a C    10.3040  -19.0331
            23  O2c O    24.6390  -17.6934
            24  O1c O    23.8236  -18.4505
            25  P1b P    25.8100  -16.9360
            26  O1c O    27.0447  -17.5711
            27  O1c O    26.2352  -18.3340
            28  O1c O    23.3985  -15.6567
            29  O1c O    25.8100  -15.5402
            30  C1a C    14.3466  -13.1017
BOND        31
            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    7  12 1
            12    9  13 2
            13    9  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 1
            24   23  25 1
            25   25  26 1
            26   25  27 1
            27    5   7 1
            28   18  20 1
            29   21  28 2
            30   25  29 2
            31   10  30 1

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Chemical reaction (3)   
   KEGG ENZYME (1)   
   KEGG REACTION (2)   
Gene (11327)   
   KEGG GENES (11327)   
All databases (11334)   

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