KEGG   COMPOUND: C15741
Entry
C15741                      Compound                               
Name
Methylsulfomycin I
Formula
C55H54N16O16S2
Exact mass
1258.3345
Mol weight
1259.2449
Structure
Sequence
  Organism
Streptomyces sp. HIL Y-9420704
Other DBs
PubChem: 47205067
ChEBI: 80069
KNApSAcK: C00049733
NIKKAJI: J1.212.970J
LinkDB
KCF data

ATOM        89
            1   C8y C    40.2314  -22.7346
            2   C8y C    41.6237  -22.7346
            3   N5x N    42.3199  -21.5511
            4   C8y C    41.6237  -20.2979
            5   C8x C    40.2314  -20.2979
            6   C8x C    39.5352  -21.5511
            7   C8y C    39.0479  -23.4308
            8   S2x S    37.7947  -22.8738
            9   C8x C    36.8201  -23.9181
            10  C8y C    37.5162  -25.1016
            11  N5x N    38.9086  -24.8231
            12  C8y C    42.8073  -23.4308
            13  N5x N    42.9465  -24.8231
            14  C8y C    44.3389  -25.1016
            15  O2x O    45.0351  -23.9181
            16  C8y C    44.1300  -22.8738
            17  C2c C    44.9077  -26.3725
            18  C2a C    46.2791  -26.5138
            19  N1b N    44.0959  -27.4944
            20  C5a C    44.6605  -28.7560
            21  O5a O    46.0677  -28.9018
            22  C2c C    43.8694  -29.8488
            23  C2a C    42.4654  -29.7039
            24  C5a C    36.9475  -26.3725
            25  O5a O    35.5761  -26.5138
            26  N1b N    37.7592  -27.4944
            27  C1c C    37.1946  -28.7560
            28  C5a C    35.7874  -28.9018
            29  C1c C    37.9857  -29.8488
            30  O1a O    39.3897  -29.7039
            31  C1a C    37.4251  -31.1023
            32  O5a O    34.9803  -27.7879
            33  N1b N    35.2067  -30.2014
            34  C2c C    33.8356  -30.3434
            35  C8y C    33.2734  -31.6008
            36  O2x O    31.9124  -31.8878
            37  C8y C    31.7647  -33.2707
            38  C8y C    33.0344  -33.8385
            39  N5x N    33.9668  -32.8064
            40  N1b N    44.4300  -31.1023
            41  C5a C    43.6127  -32.2314
            42  O5a O    42.2549  -32.0904
            43  C8y C    44.1755  -33.4892
            44  N5x N    43.5020  -34.6609
            45  C8y C    44.4082  -35.6635
            46  O2x O    45.6418  -35.1114
            47  C8y C    45.4979  -33.7676
            48  C2c C    44.1173  -37.0452
            49  N1b N    42.7967  -37.4771
            50  C2b C    45.1763  -37.9947
            51  C5a C    41.7742  -36.5602
            52  C8y C    40.4324  -36.9988
            53  O5a O    42.0548  -35.2273
            54  N5x N    39.3133  -36.1887
            55  C8y C    38.1970  -37.0027
            56  S2x S    38.6263  -38.3159
            57  C8x C    40.0078  -38.3135
            58  C1c C    36.8871  -36.5797
            59  O2a O    35.8509  -37.5159
            60  N1b N    35.8314  -35.2274
            61  C5a C    34.0927  -35.2183
            62  O5a O    33.0772  -36.1357
            63  C1a C    44.4462  -21.5179
            64  C1a C    30.5483  -33.9706
            65  C1a C    34.5146  -37.0844
            66  C1a C    46.5610  -32.8070
            67  C5a C    42.3299  -19.0979
            68  N1b N    43.7123  -19.1153
            69  C2c C    44.4093  -17.9100
            70  C5a C    45.8017  -17.9109
            71  N1b N    46.4986  -16.7055
            72  C2c C    47.8910  -16.7064
            73  C5a C    48.5880  -15.5011
            74  N1b N    49.9804  -15.5020
            75  C2c C    50.6774  -14.2966
            76  C5a C    52.0697  -14.2975
            77  N1a N    52.7667  -13.0922
            78  O5a O    41.6509  -17.8933
            79  C2a C    43.7227  -16.7191
            80  O5a O    46.5056  -19.1317
            81  C2a C    48.5738  -17.8903
            82  O5a O    47.8890  -14.2886
            83  C2a C    49.9872  -13.0996
            84  O5a O    52.7701  -15.5122
            85  C1a C    44.8843  -39.3845
            86  C2b C    32.6232  -29.6434
            87  C1c C    32.6234  -28.2100
            88  O1a O    33.8334  -27.5117
            89  C1a C    31.4085  -27.5083
BOND        95
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   1 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    7  11 2
            13    2  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 1
            18   12  16 2
            19   14  17 1
            20   17  18 2
            21   17  19 1
            22   19  20 1
            23   20  21 2
            24   20  22 1
            25   22  23 2
            26   10  24 1
            27   24  25 2
            28   24  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1
            32   29  30 1
            33   29  31 1
            34   28  32 2
            35   28  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 2
            41   38  39 1
            42   35  39 2
            43   22  40 1
            44   40  41 1
            45   41  42 2
            46   41  43 1
            47   43  44 1
            48   44  45 2
            49   45  46 1
            50   46  47 1
            51   43  47 2
            52   45  48 1
            53   48  49 1
            54   48  50 2
            55   49  51 1
            56   51  52 1
            57   51  53 2
            58   52  54 1
            59   54  55 2
            60   55  56 1
            61   56  57 1
            62   52  57 2
            63   55  58 1
            64   58  59 1
            65   58  60 1
            66   60  61 1
            67   61  62 2
            68   38  61 1
            69   16  63 1
            70   37  64 1
            71   59  65 1
            72   47  66 1
            73    4  67 1
            74   67  68 1
            75   68  69 1
            76   69  70 1
            77   70  71 1
            78   71  72 1
            79   72  73 1
            80   73  74 1
            81   74  75 1
            82   75  76 1
            83   76  77 1
            84   67  78 2
            85   69  79 2
            86   70  80 2
            87   72  81 2
            88   73  82 2
            89   75  83 2
            90   76  84 2
            91   50  85 1
            92   34  86 2
            93   86  87 1
            94   87  88 1
            95   87  89 1

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