KEGG   COMPOUND: C22667
Entry
C22667                      Compound                               
Name
4-Carboxy-1-hydroxybutyryl-ThPP
Formula
C17H27N4O10P2S
Exact mass
541.0923
Mol weight
541.43
Structure
Reaction
Pathway
map00310  Lysine degradation
map00785  Lipoic acid metabolism
Enzyme
1.2.4.-
Other DBs
PubChem: 497620026
LinkDB
KCF data

ATOM        34
            1   N5y N    16.2685  -17.8104 #+
            2   C8y C    16.9697  -16.6183
            3   C8y C    17.2502  -18.8622
            4   C1b C    15.0764  -17.1793
            5   S2x S    18.3020  -16.8287
            6   C1c C    16.3386  -15.3561
            7   C8y C    18.5125  -18.2311
            8   C1a C    17.1800  -20.1945
            9   C8y C    13.8843  -17.8805
            10  O1a O    17.1100  -14.1641
            11  C1b C    19.7746  -18.8622
            12  C8y C    13.8843  -19.2829
            13  C8x C    12.6923  -17.1793
            14  C1b C    20.9667  -18.0909
            15  N5x N    12.6923  -19.9842
            16  N1a N    15.0764  -19.9141
            17  N5x N    11.4301  -17.8805
            18  O2b O    22.1588  -18.7220
            19  C8y C    11.4301  -19.2829
            20  P1b P    23.3509  -17.9506
            21  C1a C    10.2379  -19.9141
            22  O2c O    24.6130  -18.5818
            23  O1c O    23.7014  -19.4233
            24  P1b P    25.7351  -17.8805
            25  O1c O    26.9972  -18.5117
            26  O1c O    26.0856  -19.3530
            27  O1c O    23.3509  -16.5482
            28  O1c O    25.7351  -16.4780
            29  C1b C    14.9383  -15.3487
            30  C1b C    14.2371  -14.1342
            31  C1b C    12.8328  -14.1342
            32  C6a C    12.1444  -12.9420
            33  O6a O    10.7291  -12.9419
            34  O6a O    12.8294  -11.7556
BOND        35
            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    7  11 1
            11    9  12 2
            12    9  13 1
            13   11  14 1
            14   12  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 2
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   22  24 1
            24   24  25 1
            25   24  26 1
            26    5   7 1
            27   17  19 1
            28   20  27 2
            29   24  28 2
            30    6  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   32  34 2

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