KEGG   COMPOUND: C12036
Entry
C12036                      Compound                               
Name
Chlorobiphenyl-desleucyl-vancomycin
Formula
C72H71Cl3N8O23
Exact mass
1520.3698
Mol weight
1522.7329
Structure
Other DBs
PubChem: 14191
ChEBI: 29554
LinkDB
KCF data

ATOM        106
            1   C1y C    37.3008  -15.8433
            2   C1x C    37.3324  -14.4773
            3   O2x O    38.4628  -16.5422
            4   C1z C    38.5252  -13.8326
            5   C1y C    39.6556  -15.8976
            6   C1y C    39.6871  -14.5314
            7   C1a C    37.5962  -12.8521
            8   N1b N    39.5207  -12.8964
            9   C1a C    40.8252  -16.5965
            10  O1a O    40.8876  -13.8869
            11  C1b C    39.8962  -11.5788
            12  C8y C    41.2641  -11.6092
            13  C8x C    41.9219  -12.8092
            14  C8x C    41.9746  -10.4396
            15  C8x C    43.3426  -10.4700
            16  C8y C    44.0003  -11.6701
            17  C8y C    45.3685  -11.7005
            18  C8x C    43.2900  -12.8396
            19  C8x C    46.0262  -12.9003
            20  C8x C    46.0787  -10.5309
            21  C8x C    47.4467  -10.5613
            22  C8y C    48.1046  -11.7611
            23  C8x C    47.3941  -12.9307
            24  X   Cl   49.4726  -11.7916
            25  C8y C    36.1065  -24.2201
            26  C8y C    34.9225  -24.8883
            27  C8y C    37.2781  -24.9030
            28  O2a O    36.1118  -22.8611
            29  C8x C    34.9172  -26.2550
            30  O2x O    33.7586  -24.2057
            31  C8x C    37.2728  -26.2620
            32  O2x O    38.4693  -24.2494
            33  C1y C    37.2382  -21.0745
            34  C8y C    36.0960  -26.9455
            35  C8y C    32.5668  -24.8741
            36  C8y C    39.6483  -24.9325
            37  C1y C    37.2509  -19.7083
            38  O2x O    38.4170  -21.7651
            39  C1y C    36.1212  -28.3273
            40  C8x C    32.5541  -26.2331
            41  C8y C    31.3955  -24.1912
            42  C8y C    40.8322  -24.2716
            43  C8x C    39.6433  -26.2992
            44  O2a O    35.6537  -17.8191
            45  C1y C    38.4277  -19.0246
            46  C1y C    39.6087  -21.0815
            47  C5x C    34.9446  -29.0034
            48  N1x N    37.2846  -29.0178
            49  C8x C    31.3701  -26.9089
            50  C8x C    30.2191  -24.8522
            51  C8x C    42.0040  -24.9470
            52  X   Cl   40.8525  -22.9128
            53  C8x C    40.8221  -26.9895
            54  C1y C    39.6142  -19.7075
            55  O1a O    38.4477  -17.6733
            56  C1b C    40.7875  -21.7872
            57  N1x N    33.7656  -28.3054
            58  O5x O    34.9393  -30.3623
            59  C5x C    38.4689  -28.3417
            60  C8y C    30.2064  -26.2112
            61  C8y C    41.9987  -26.3060
            62  O1a O    40.8057  -19.0544
            63  O1a O    42.1465  -21.8076
            64  C1y C    32.5890  -28.9815
            65  C1y C    39.6402  -29.0320
            66  O5x O    38.4890  -26.9829
            67  C1y C    29.0296  -26.8947
            68  C1y C    43.1775  -27.0116
            69  C8y C    32.5688  -30.3402
            70  C5x C    31.4176  -28.2911
            71  N1x N    40.8243  -28.3562
            72  C1b C    38.4562  -29.7081
            73  C1y C    29.0246  -28.2611
            74  O1a O    27.8585  -26.1965
            75  C1y C    43.1722  -28.3706
            76  O1a O    44.3692  -26.3432
            77  C8x C    31.3845  -31.0089
            78  C8x C    33.7476  -31.0308
            79  N1x N    30.2336  -28.9670
            80  O5x O    30.4372  -27.3834
            81  C5x C    41.9882  -29.0465
            82  C5a C    38.4509  -31.0671
            83  C5x C    27.8403  -28.9370
            84  N1a N    44.3513  -29.0609
            85  C8y C    31.3719  -32.3751
            86  C8x C    33.7349  -32.3898
            87  O5x O    41.9832  -30.4055
            88  N1a N    39.6300  -31.7577
            89  O5a O    37.2669  -31.7432
            90  N1x N    27.8353  -30.2960
            91  O5x O    26.6689  -28.2390
            92  C8y C    30.1806  -33.0286
            93  C8y C    32.5509  -33.0659
            94  C1y C    29.0143  -30.9868
            95  C8y C    29.0090  -32.3457
            96  C8y C    30.1753  -34.3951
            97  O1a O    32.5458  -34.4323
            98  C6a C    26.7222  -32.2713
            99  C8x C    27.8250  -33.0216
            100 C8x C    28.9987  -35.0712
            101 O1a O    31.3541  -35.0930
            102 O6a O    25.3632  -32.2586
            103 O6a O    26.7169  -33.6303
            104 C8y C    27.8197  -34.3880
            105 O1a O    26.6431  -35.0716
            106 X   Cl   31.4071  -22.8202
BOND        117
            1     1   3 1
            2    12  13 2
            3     2   4 1
            4    12  14 1
            5     3   5 1
            6    14  15 2
            7    13  18 1
            8     4   6 1
            9    15  16 1
            10    4   7 1 #Up
            11   16  17 1
            12    4   8 1 #Down
            13   16  18 2
            14    5   9 1 #Down
            15   17  19 2
            16    6  10 1 #Down
            17   17  20 1
            18    5   6 1
            19   20  21 2
            20   21  22 1
            21    8  11 1
            22   22  23 2
            23   19  23 1
            24    1   2 1
            25   22  24 1
            26   11  12 1
            27   25  26 1
            28   25  27 2
            29   25  28 1
            30   26  29 2
            31   26  30 1
            32   27  31 1
            33   27  32 1
            34   33  28 1 #Up
            35   29  34 1
            36   30  35 1
            37   32  36 1
            38   33  37 1
            39   33  38 1
            40   34  39 1
            41   35  40 1
            42   35  41 2
            43   36  42 1
            44   36  43 2
            45   37  44 1 #Down
            46   37  45 1
            47   38  46 1
            48   39  47 1
            49   39  48 1 #Up
            50   40  49 2
            51   41  50 1
            52   42  51 2
            53   42  52 1
            54   43  53 1
            55   45  54 1
            56   45  55 1 #Up
            57   46  56 1 #Up
            58   47  57 1
            59   47  58 2
            60   48  59 1
            61   49  60 1
            62   51  61 1
            63   54  62 1 #Down
            64   56  63 1
            65   64  57 1 #Down
            66   59  65 1
            67   59  66 2
            68   60  67 1
            69   61  68 1
            70   64  69 1
            71   64  70 1
            72   65  71 1
            73   65  72 1 #Up
            74   67  73 1
            75   67  74 1 #Down
            76   68  75 1
            77   68  76 1 #Up
            78   69  77 1
            79   69  78 2
            80   70  79 1
            81   70  80 2
            82   71  81 1
            83   72  82 1
            84   73  83 1
            85   75  84 1 #Up
            86   77  85 2
            87   78  86 1
            88   81  87 2
            89   82  88 1
            90   82  89 2
            91   83  90 1
            92   83  91 2
            93   85  92 1
            94   85  93 1
            95   90  94 1
            96   92  95 2
            97   92  96 1
            98   93  97 1
            99   94  98 1 #Down
            100  95  99 1
            101  96 100 2
            102  96 101 1
            103  98 102 1
            104  98 103 2
            105  99 104 2
            106 104 105 1
            107  31  34 2
            108  46  54 1
            109  50  60 2
            110  53  61 2
            111  73  79 1 #Down
            112  75  81 1
            113  86  93 2
            114  94  95 1
            115 100 104 1
            116   1  44 1 #Up
            117  41 106 1

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