KEGG   COMPOUND: C15974Help
Entry
C15974                      Compound                               

Name
3-Methyl-1-hydroxybutyl-ThPP;
3-Methyl-1-hydroxybutyl-TPP
Formula
C17H29N4O8P2S
Exact mass
511.1181
Mol weight
511.4467
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
Enzyme
Other DBs
PubChem: 47205287
ChEBI: 80220
NIKKAJI: J2.799.840B
KCF data Show

ATOM        32
            1   N5y N    30.9312  -24.9080 #+
            2   C8y C    31.5738  -23.6638
            3   C8y C    31.9184  -25.9013
            4   C1b C    29.7159  -24.2129
            5   S2x S    32.9525  -23.8915
            6   C1c C    30.9427  -22.4135
            7   C8y C    33.1628  -25.2703
            8   C1a C    31.7605  -27.2858
            9   C8y C    28.5066  -24.9140
            10  C1b C    29.5525  -22.3318
            11  O1a O    31.7139  -21.2452
            12  C1b C    34.4072  -25.9129
            13  C8y C    28.5066  -26.3218
            14  C8x C    27.2798  -24.2187
            15  C1b C    35.5814  -25.1535
            16  N5x N    27.2798  -27.0405
            17  N1a N    29.7159  -27.0229
            18  N5x N    26.0763  -24.9140
            19  O2b O    36.8258  -25.7961
            20  C8y C    26.0763  -26.3218
            21  P1b P    38.0001  -25.0366
            22  C1a C    24.8670  -27.0229
            23  O2c O    39.2443  -25.6792
            24  O1c O    38.4265  -26.4386
            25  P1b P    40.4187  -24.9197
            26  O1c O    41.6572  -25.5566
            27  O1c O    40.8452  -26.3217
            28  O1c O    38.0001  -23.6366
            29  O1c O    40.4187  -23.5197
            30  C1c C    28.9216  -21.0740
            31  C1a C    27.5122  -20.9911
            32  C1a C    29.6898  -19.9073
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   30  32 1

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