KEGG   COMPOUND: C21017Help
Entry
C21017                      Compound                               

Name
2-(alpha-Hydroxypropyl)thiamine diphosphate;
2-Hydroxypropyl-ThPP
Formula
C15H25N4O8P2S
Exact mass
483.0868
Mol weight
483.3935
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00640  Propanoate metabolism
map01100  Metabolic pathways
Enzyme
Other DBs
PubChem: 254741471
LinkDB All DBs
KCF data Show

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

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