KEGG   COMPOUND: C06717Help
Entry
C06717                      Compound                               

Name
Mycothiol
Formula
C17H30N2O12S
Exact mass
486.1519
Mol weight
486.4913
Structure
Mol fileKCF fileDB search
Remark
Same as: G11174
Reaction
Enzyme
1.1.1.306       1.2.1.-         1.8.1.15        2.3.1.189
Other DBs
PubChem: 8940
ChEBI: 16768
KNApSAcK: C00028629
NIKKAJI: J663.936D
LinkDB All DBs
KCF data Show

ATOM        32
            1   C1y C    29.9818  -16.8704
            2   C1y C    31.1929  -17.5745
            3   C1y C    32.4057  -16.8732
            4   C1y C    32.4072  -15.4749
            5   C1y C    31.1963  -14.7779
            6   C1y C    29.9835  -15.4720
            7   C1y C    25.1378  -18.2785
            8   C1y C    25.1378  -19.6797
            9   C1y C    26.3550  -20.3838
            10  C1y C    27.5652  -19.6797
            11  C1y C    27.5652  -18.2785
            12  O2x O    26.3550  -17.5814
            13  O2a O    28.7731  -17.5824
            14  N1b N    28.7731  -20.3828
            15  O1a O    23.9237  -20.3843
            16  C1b C    23.9237  -17.5809
            17  O1a O    26.3568  -21.7848
            18  O1a O    22.7016  -18.2645
            19  O1a O    31.1980  -13.3769
            20  O1a O    33.6191  -17.5787
            21  O1a O    31.1912  -18.9755
            22  O1a O    28.7701  -14.7737
            23  O1a O    33.6225  -14.7794
            24  C5a C    28.7638  -21.7779
            25  C1c C    29.9749  -22.4749
            26  N1b N    31.1900  -21.7792
            27  C1b C    29.9732  -23.8760
            28  C5a C    32.4035  -22.4778
            29  C1a C    33.6188  -21.7821
            30  O5a O    32.4019  -23.8788
            31  O5a O    27.5537  -22.4702
            32  S1a S    28.7579  -24.5786
BOND        33
            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

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