KEGG   COMPOUND: C15978
Entry
C15978                      Compound                               

Name
2-Methyl-1-hydroxybutyl-ThPP;
2-Methyl-1-hydroxybutyl-TPP
Formula
C17H29N4O8P2S
Exact mass
511.1181
Mol weight
511.4467
Structure
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
Enzyme
Other DBs
PubChem: 47205291
ChEBI: 80223
NIKKAJI: J2.799.847J
KCF data

ATOM        32
            1   N5y N    32.0950  -22.4506 #+
            2   C8y C    32.7356  -21.2102
            3   C8y C    33.0791  -23.4408
            4   C1b C    30.8836  -21.7576
            5   S2x S    34.1100  -21.4372
            6   C1c C    32.1065  -19.9638
            7   C8y C    34.3197  -22.8117
            8   C1a C    32.9217  -24.8210
            9   C8y C    29.6780  -22.4566
            10  C1c C    30.7207  -19.8824
            11  O1a O    32.8753  -18.7991
            12  C1b C    35.5602  -23.4524
            13  C8y C    29.6780  -23.8600
            14  C8x C    28.4550  -21.7634
            15  C1b C    36.7308  -22.6953
            16  N5x N    28.4550  -24.5765
            17  N1a N    30.8836  -24.5589
            18  N5x N    27.2553  -22.4566
            19  O2b O    37.9713  -23.3359
            20  C8y C    27.2553  -23.8600
            21  P1b P    39.1420  -22.5788
            22  C1a C    26.0497  -24.5589
            23  O2c O    40.3823  -23.2194
            24  O1c O    39.5671  -23.9764
            25  P1b P    41.5531  -22.4622
            26  O1c O    42.7877  -23.0972
            27  O1c O    41.9783  -23.8599
            28  O1c O    39.1420  -21.1831
            29  O1c O    41.5531  -21.0666
            30  C1b C    30.0917  -18.6285
            31  C1a C    28.6867  -18.5458
            32  C1a C    29.9547  -21.0457
BOND        33
            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
            32   30  31 1
            33   10  32 1 #Up

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