KEGG   COMPOUND: C11502
Entry
C11502                      Compound                               
Name
Mycothione
Formula
C34H58N4O24S2
Exact mass
970.2882
Mol weight
970.9667
Structure
Remark
Same as: G11175
Reaction
Enzyme
Other DBs
PubChem: 13672
ChEBI: 16086
NIKKAJI: J2.024.060A
LinkDB
KCF data

ATOM        64
            1   C1y C    19.6149  -21.3465
            2   C1y C    18.2141  -21.3394
            3   C1y C    17.5041  -22.5500
            4   C1y C    18.2020  -23.7675
            5   C1y C    19.6026  -23.7746
            6   C1y C    20.3057  -22.5640
            7   C1y C    22.4303  -18.9182
            8   C1y C    23.1202  -17.7074
            9   C1y C    22.4166  -16.4977
            10  C1y C    21.0162  -16.5057
            11  O2x O    20.3193  -17.7233
            12  C1y C    21.0299  -18.9261
            13  O5a O    30.8557  -18.9604
            14  C5a C    31.5596  -20.1711
            15  C1c C    30.8628  -21.3817
            16  N1b N    31.5667  -22.5924
            17  C5a C    30.8699  -23.8031
            18  C1a C    31.5667  -25.0137
            19  O5a O    29.4691  -23.8031
            20  C1b C    29.4620  -21.3747
            21  S3a S    28.7582  -20.1569
            22  S3a S    27.3575  -20.1500
            23  C1b C    26.6466  -21.3606
            24  C1c C    25.2459  -21.3536
            25  C5a C    24.5419  -20.1358
            26  N1b N    24.5478  -22.5669
            27  O5a O    25.2318  -18.9182
            28  C5a C    25.2318  -23.7749
            29  C1a C    24.5208  -24.9856
            30  O5a O    26.6324  -23.7749
            31  N1b N    32.9604  -20.1681
            32  C1y C    33.6430  -18.9464
            33  C1y C    35.0435  -19.0003
            34  O2x O    35.7332  -17.7157
            35  C1y C    35.0156  -16.5101
            36  C1y C    33.6153  -16.5259
            37  C1y C    32.9325  -17.7476
            38  O2a O    35.7611  -20.1361
            39  C1y C    36.4446  -21.3465
            40  C1y C    35.7442  -22.5471
            41  C1y C    36.4275  -23.7573
            42  C1y C    37.8183  -23.6973
            43  C1y C    38.5258  -22.5667
            44  C1y C    37.8354  -21.3563
            45  O1a O    39.9264  -22.5767
            46  O1a O    35.7220  -24.9664
            47  O1a O    34.3434  -22.5371
            48  C1b C    35.7057  -15.2880
            49  O1a O    31.5319  -17.7637
            50  O1a O    32.9046  -15.3201
            51  O1a O    38.5477  -20.1473
            52  O1a O    38.5136  -24.9861
            53  O1a O    34.9945  -14.0685
            54  N1b N    23.1413  -20.1419
            55  O2a O    20.3187  -20.1358
            56  O1a O    24.5208  -17.6995
            57  C1b C    20.3055  -15.2956
            58  O1a O    16.1035  -22.5429
            59  O1a O    20.2933  -24.9920
            60  O1a O    21.7063  -22.5711
            61  O1a O    17.4920  -24.9780
            62  O1a O    17.5163  -20.1220
            63  O1a O    23.1065  -15.2797
            64  O1a O    21.0015  -14.0754
BOND        67
            1     3   4 1
            2    16  17 1
            3     4   5 1
            4    17  18 1
            5     5   6 1
            6    32  33 1
            7    33  34 1
            8    34  35 1
            9    35  36 1
            10   36  37 1
            11   37  32 1
            12   17  19 2
            13   33  38 1 #Down
            14    7   8 1
            15   39  38 1 #Up
            16   15  20 1 #Up
            17    8   9 1
            18   20  21 1
            19    9  10 1
            20   21  22 1
            21   39  40 1
            22   40  41 1
            23   41  42 1
            24   42  43 1
            25   43  44 1
            26   44  39 1
            27   10  11 1
            28   43  45 1 #Up
            29   22  23 1
            30   41  46 1 #Up
            31   11  12 1
            32   40  47 1 #Up
            33   24  23 1 #Down
            34   35  48 1 #Up
            35   12   7 1
            36   37  49 1 #Up
            37   24  25 1
            38   36  50 1 #Down
            39    6   1 1
            40   44  51 1 #Down
            41   24  26 1
            42   42  52 1 #Down
            43   48  53 1
            44   25  27 2
            45   25  54 1
            46    7  54 1 #Down
            47   13  14 2
            48   12  55 1 #Up
            49   55   1 1
            50   26  28 1
            51    8  56 1 #Down
            52    1   2 1
            53   10  57 1 #Down
            54   28  29 1
            55    3  58 1 #Down
            56   14  15 1
            57    5  59 1 #Down
            58   28  30 2
            59    6  60 1 #Down
            60    2   3 1
            61    4  61 1 #Up
            62   14  31 1
            63    2  62 1 #Up
            64   15  16 1
            65    9  63 1 #Up
            66   31  32 1
            67   57  64 1

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