KEGG   COMPOUND: C20732
Entry
C20732                      Compound                               

Name
Mycothiol S-conjugate
Formula
C17H29N2O12SR
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 254741201
KCF data

ATOM        33
            1   C1y C    20.4650  -13.3874
            2   C1y C    21.7265  -14.0883
            3   C1y C    22.9181  -13.3874
            4   C1y C    22.9181  -11.9857
            5   C1y C    21.7265  -11.2848
            6   C1y C    20.4650  -11.9857
            7   C1y C    15.6288  -14.7892
            8   C1y C    15.6288  -16.1910
            9   C1y C    16.8204  -16.8919
            10  C1y C    18.0819  -16.1910
            11  C1y C    18.0819  -14.7892
            12  O2x O    16.8204  -14.0883
            13  O2a O    19.2735  -14.0883
            14  N1b N    19.2735  -16.8919
            15  O1a O    14.4373  -16.8919
            16  C1b C    14.4373  -14.0883
            17  O1a O    16.8204  -18.2936
            18  O1a O    13.1758  -14.7892
            19  O1a O    21.7265   -9.8830
            20  O1a O    24.1096  -14.0883
            21  O1a O    21.7265  -15.4901
            22  O1a O    19.2735  -11.2848
            23  O1a O    24.1096  -11.2848
            24  C5a C    19.2735  -18.2936
            25  C1c C    20.4650  -18.9945
            26  N1b N    21.7265  -18.2936
            27  C1b C    20.4650  -20.3963
            28  C5a C    22.9181  -18.9945
            29  C1a C    24.1096  -18.2936
            30  O5a O    22.9181  -20.3963
            31  O5a O    18.0819  -18.9945
            32  S2a S    19.2510  -21.0972
            33  R   R    19.2510  -22.4989
BOND        34
            1     7  16 1 #Up
            2     3   4 1
            3     9  17 1 #Up
            4     4   5 1
            5    16  18 1
            6     1  13 1 #Up
            7     5   6 1
            8     5  19 1 #Up
            9     7   8 1
            10    3  20 1 #Up
            11    8   9 1
            12    2  21 1 #Up
            13    9  10 1
            14    6  22 1 #Down
            15   10  11 1
            16    4  23 1 #Down
            17   11  12 1
            18   14  24 1
            19   12   7 1
            20   24  25 1
            21    6   1 1
            22   25  26 1
            23   11  13 1 #Down
            24   25  27 1 #Up
            25   26  28 1
            26   10  14 1 #Down
            27   28  29 1
            28    1   2 1
            29   28  30 2
            30    8  15 1 #Down
            31   24  31 2
            32    2   3 1
            33   27  32 1
            34   32  33 1

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