KEGG   COMPOUND: C15764
Entry
C15764                      Compound                               
Name
UK 63598
Formula
C53H62N10O14S2
Exact mass
1126.3888
Mol weight
1127.248
Structure
Sequence
0 3HQA  1 D-Ser  2 Ala  3 Cys  4 N-Methyl-cyclopropane  (Dimer)
  Type
NRP
Comment
3 Cys is modified by N,S-dimethyl. (i.e. N,S-Dimethylcysteine)
Other DBs
PubChem: 47205090
ChEBI: 87399
KNApSAcK: C00017659
NIKKAJI: J2.543.800K
LinkDB
KCF data

ATOM        79
            1   C1y C    19.9500  -23.1000
            2   C1x C    19.9500  -21.7000
            3   O7x O    21.1400  -21.0000
            4   N1x N    22.4000  -23.1000
            5   C5x C    21.1400  -23.8000
            6   C1a C    23.5900  -21.0000
            7   C5x C    24.7800  -23.1000
            8   C1y C    23.5900  -23.8000
            9   C1y C    27.2300  -23.1000
            10  N1y N    26.0400  -23.8000
            11  N1y N    29.6800  -23.1000
            12  C5x C    28.4200  -23.8000
            13  O7x O    32.0600  -21.7000
            14  C7x C    32.0600  -23.1000
            15  C1z C    30.8700  -23.8000
            16  N1x N    30.8700  -19.6000
            17  C5x C    32.0600  -18.9000
            18  C1y C    33.3200  -19.6000
            19  C1x C    33.3200  -21.0000
            20  C7x C    21.1400  -19.6000
            21  C1z C    22.4000  -18.9000
            22  N1y N    23.5900  -19.6000
            23  C5x C    24.7800  -18.9000
            24  C1y C    26.0400  -19.6000
            25  N1y N    27.2300  -18.9000
            26  C5x C    28.4200  -19.6000
            27  C1y C    29.6800  -18.9000
            28  N1b N    18.7600  -23.8000
            29  C5a C    17.5700  -23.1000
            30  C8y C    16.3800  -23.8000
            31  O5a O    17.5700  -21.7000
            32  C8y C    16.3800  -25.2000
            33  C8x C    15.1200  -25.9000
            34  C8y C    13.9300  -25.2000
            35  C8y C    13.9300  -23.8000
            36  N5x N    15.1200  -23.1000
            37  C8x C    12.7400  -25.9000
            38  C8x C    11.4800  -25.2000
            39  C8x C    11.4800  -23.8000
            40  C8x C    12.7400  -23.1000
            41  N1b N    34.5100  -18.9000
            42  C5a C    35.7000  -19.6000
            43  O5a O    35.7000  -21.0000
            44  C8y C    36.8900  -18.9000
            45  C8y C    36.8900  -17.5000
            46  C8x C    38.1500  -16.8000
            47  C8y C    39.3400  -17.5000
            48  C8y C    39.3400  -18.9000
            49  N5x N    38.1500  -19.6000
            50  C8x C    40.5300  -16.8000
            51  C8x C    41.7900  -17.5000
            52  C8x C    41.7900  -18.9000
            53  C8x C    40.5300  -19.6000
            54  O6a O    19.9500  -18.9000
            55  C1x C    21.7000  -17.7100
            56  C1y C    23.1000  -17.7100
            57  O5x O    24.7800  -17.5000
            58  C1a C    27.2300  -17.5000
            59  O5x O    28.4200  -21.0000
            60  C1a C    29.6800  -17.5000
            61  O5x O    32.0600  -17.5000
            62  O6a O    33.2500  -23.8000
            63  C1x C    31.5700  -24.9900
            64  C1y C    30.1700  -24.9900
            65  C1a C    29.6800  -21.7000
            66  O5x O    28.4200  -25.2000
            67  C1a C    26.0400  -25.2000
            68  O5x O    24.7800  -21.7000
            69  C1a C    23.5900  -25.2000
            70  O5x O    21.1400  -25.2000
            71  C1x C    25.3400  -20.7900
            72  S2x S    26.7400  -20.7900
            73  O1a O    17.5700  -25.9000
            74  O1a O    35.7000  -16.8000
            75  C1y C    27.4400  -22.0024
            76  S2a S    28.8400  -22.0024
            77  C1a C    29.2023  -20.6501
            78  C1a C    24.0899  -16.7201
            79  C1a C    29.1801  -25.9799
BOND        86
            1     1   2 1
            2     2   3 1
            3     4   5 1
            4     1   5 1
            5     7   8 1
            6     4   8 1
            7     9  10 1
            8     7  10 1
            9    11  12 1
            10    9  12 1
            11   13  14 1
            12   14  15 1
            13   11  15 1
            14   16  17 1
            15   17  18 1
            16   18  19 1
            17   13  19 1
            18    3  20 1
            19   20  21 1
            20   21  22 1
            21   22   6 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  16 1
            28    1  28 1
            29   28  29 1
            30   29  30 1
            31   29  31 2
            32   30  32 1
            33   32  33 2
            34   33  34 1
            35   34  35 2
            36   35  36 1
            37   30  36 2
            38   34  37 1
            39   37  38 2
            40   38  39 1
            41   39  40 2
            42   35  40 1
            43   18  41 1
            44   41  42 1
            45   42  43 2
            46   42  44 1
            47   44  45 1
            48   45  46 2
            49   46  47 1
            50   47  48 2
            51   48  49 1
            52   44  49 2
            53   47  50 1
            54   50  51 2
            55   51  52 1
            56   52  53 2
            57   48  53 1
            58   20  54 2
            59   21  55 1
            60   21  56 1
            61   55  56 1
            62   23  57 2
            63   25  58 1
            64   26  59 2
            65   27  60 1
            66   17  61 2
            67   14  62 2
            68   15  63 1
            69   15  64 1
            70   64  63 1
            71   11  65 1
            72   12  66 2
            73   10  67 1
            74    7  68 2
            75    8  69 1
            76    5  70 2
            77   24  71 1
            78   71  72 1
            79   32  73 1
            80   45  74 1
            81   72  75 1
            82   75   9 1
            83   75  76 1
            84   76  77 1
            85   56  78 1
            86   64  79 1

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