KEGG   COMPOUND: C13588
Entry
C13588                      Compound                               
Name
Teicoplanin A2-3;
Teichomycin A2 factor 3
Formula
C88H97Cl2N9O33
Exact mass
1877.5566
Mol weight
1879.6583
Structure
Other DBs
CAS: 91032-36-9
PubChem: 853950
ChEBI: 34996
NIKKAJI: J332.126F
LinkDB
KCF data

ATOM        132
            1   C1y C    39.1280  -14.5192
            2   O2x O    40.3450  -15.1855
            3   C1y C    41.5412  -14.4582
            4   C1y C    41.5095  -13.0586
            5   C1y C    40.2924  -12.3923
            6   C1y C    39.0962  -13.1196
            7   C1y C    29.5400  -18.3400
            8   C8y C    37.9400  -17.7100
            9   C8y C    36.7500  -18.4100
            10  C8y C    39.1300  -18.3400
            11  C8x C    36.7500  -19.8100
            12  O2x O    35.5600  -17.7100
            13  C8x C    39.1300  -19.7400
            14  O2x O    40.3900  -17.6400
            15  C8y C    38.0100  -20.4400
            16  C8y C    34.3700  -18.4100
            17  C8y C    41.5800  -18.3400
            18  C1y C    38.0100  -22.6100
            19  C8y C    34.3700  -19.8100
            20  C8x C    33.1100  -17.7100
            21  C8y C    42.7700  -17.6400
            22  C8x C    41.5800  -19.6700
            23  C5x C    36.8900  -23.3100
            24  N1x N    39.2700  -23.2400
            25  C8x C    33.1800  -20.5100
            26  X   Cl   35.5600  -20.5100
            27  C8x C    31.9900  -18.4100
            28  C8x C    43.9600  -18.2700
            29  X   Cl   42.7700  -16.2400
            30  C8x C    42.8400  -20.3700
            31  N1x N    35.6300  -22.6100
            32  O5x O    36.8900  -24.7100
            33  C5x C    40.4600  -22.5400
            34  C8y C    31.9900  -19.8100
            35  C8y C    43.9600  -19.6700
            36  C1y C    34.5100  -23.3100
            37  C1y C    41.6500  -23.1700
            38  O5x O    40.4600  -21.1400
            39  C1y C    30.8000  -20.5800
            40  C1x C    45.2200  -20.3700
            41  C8y C    34.5100  -24.7100
            42  C5x C    33.2500  -22.6100
            43  N1x N    42.8400  -22.4700
            44  C1y C    30.8000  -22.6100
            45  O2a O    29.5400  -19.8800
            46  C1y C    45.2200  -22.4700
            47  C8x C    33.2500  -25.4100
            48  C8x C    35.7000  -25.4100
            49  N1x N    32.0600  -23.3100
            50  C5x C    44.0300  -23.1700
            51  C5x C    29.6100  -23.3800
            52  C8y C    33.2500  -26.8100
            53  C8x C    35.7000  -26.8100
            54  O5x O    44.0300  -24.5700
            55  N1x N    29.6100  -24.7100
            56  O5x O    28.3500  -22.6800
            57  C8y C    32.0600  -27.5100
            58  C8y C    34.5100  -27.5100
            59  C1y C    30.8700  -25.4100
            60  C8y C    30.8700  -26.8100
            61  C8y C    32.0600  -28.9100
            62  O1a O    34.5100  -28.9100
            63  C6a C    28.5600  -26.8100
            64  C8x C    29.7500  -27.5100
            65  C8x C    30.9400  -29.6100
            66  O2a O    33.3200  -29.6100
            67  O6a O    27.1600  -26.8100
            68  O6a O    28.5600  -28.2100
            69  C8y C    29.7500  -28.9100
            70  O1a O    28.4900  -29.6800
            71  C1y C    33.3200  -31.0100
            72  C8y C    41.6500  -24.5700
            73  C8x C    40.4600  -25.2700
            74  C8y C    40.4600  -26.6700
            75  C8x C    41.6500  -27.3700
            76  C8y C    42.8400  -26.6700
            77  C8x C    42.8400  -25.2700
            78  O1a O    39.2700  -27.3700
            79  O5x O    33.2500  -21.2100
            80  O2x O    44.0553  -27.3651
            81  C8y C    44.0611  -28.7697
            82  C8y C    42.8285  -29.4886
            83  C8x C    42.8346  -30.8885
            84  C8x C    44.0501  -31.5832
            85  C8y C    45.2828  -30.8643
            86  C8x C    45.2766  -29.4643
            87  O1a O    41.6138  -28.7944
            88  C1y C    46.5062  -31.5635
            89  C5x C    47.6931  -30.8711
            90  O5x O    48.8907  -31.5556
            91  N1x N    47.6953  -23.1651
            92  N1a N    46.5125  -32.9696
            93  O2a O    37.9086  -15.2604
            94  C1b C    42.7579  -15.1247
            95  N1b N    37.8825  -12.4546
            96  O1a O    43.9652  -14.3910
            97  O1a O    40.2606  -10.9913
            98  O1a O    42.6921  -12.3399
            99  O2x O    30.7524  -17.6400
            100 C1y C    30.7524  -16.2400
            101 C1y C    29.5400  -15.5400
            102 C1y C    28.3276  -16.2400
            103 C1y C    28.3276  -17.6400
            104 C1b C    31.9479  -15.5496
            105 O1a O    27.1321  -15.5496
            106 O1a O    29.5400  -14.1400
            107 N1b N    27.1321  -18.3304
            108 C5a C    27.1320  -19.7397
            109 C1a C    25.9406  -20.4278
            110 O5a O    28.3654  -20.4521
            111 O1a O    33.1353  -16.2351
            112 C1y C    32.1076  -31.7100
            113 C1y C    32.1076  -33.1100
            114 C1y C    33.3200  -33.8100
            115 C1y C    34.5324  -33.1100
            116 O2x O    34.5324  -31.7100
            117 O1a O    33.3200  -35.2100
            118 O1a O    30.9121  -31.0196
            119 C1b C    35.7279  -33.8004
            120 O1a O    30.9121  -33.8004
            121 O1a O    36.9153  -33.1149
            122 C5a C    37.8513  -11.0601
            123 C1b C    36.6379  -10.3952
            124 O5a O    39.0614  -10.3248
            125 C1b C    35.4054  -11.1434
            126 C1b C    34.1836  -10.4733
            127 C1b C    32.9576  -11.2171
            128 C1b C    31.7327  -10.5449
            129 C1b C    30.5079  -11.2877
            130 C1b C    29.2827  -10.6150
            131 C1b C    28.0578  -11.3575
            132 C1a C    26.8328  -10.6847
BOND        145
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7    18  23 1
            8    18  24 1 #Up
            9    19  25 2
            10   19  26 1
            11   20  27 1
            12   21  28 2
            13   21  29 1
            14   22  30 1
            15   23  31 1
            16   23  32 2
            17   24  33 1
            18   25  34 1
            19   28  35 1
            20   36  31 1 #Down
            21   33  37 1
            22   33  38 2
            23   34  39 1
            24   35  40 1
            25   36  41 1
            26   36  42 1
            27   37  43 1 #Up
            28   39  44 1
            29   39  45 1 #Down
            30   40  46 1
            31   41  47 1
            32   41  48 2
            33   42  49 1
            34   43  50 1
            35   44  51 1
            36   47  52 2
            37   48  53 1
            38   50  54 2
            39   51  55 1
            40   51  56 2
            41   52  57 1
            42   52  58 1
            43   59  55 1
            44   57  60 2
            45   57  61 1
            46   58  62 1
            47   59  63 1 #Down
            48   60  64 1
            49   61  65 2
            50   61  66 1
            51   63  67 1
            52   63  68 2
            53   64  69 2
            54   69  70 1
            55   13  15 2
            56   27  34 2
            57   30  35 2
            58   44  49 1 #Down
            59   46  50 1
            60   53  58 2
            61   59  60 1
            62   65  69 1
            63   71  66 1 #Up
            64    8   9 1
            65    8  10 2
            66   37  72 1
            67    9  11 2
            68    9  12 1
            69   10  13 1
            70   10  14 1
            71   72  73 2
            72   73  74 1
            73   74  75 2
            74   75  76 1
            75   76  77 2
            76   77  72 1
            77   11  15 1
            78   74  78 1
            79   12  16 1
            80   14  17 1
            81   15  18 1
            82   16  19 1
            83   16  20 2
            84   17  21 1
            85   17  22 2
            86   42  79 2
            87    7  45 1 #Up
            88   76  80 1
            89   80  81 1
            90   81  82 2
            91   82  83 1
            92   83  84 2
            93   84  85 1
            94   85  86 2
            95   81  86 1
            96   82  87 1
            97   85  88 1
            98   88  89 1
            99   89  90 2
            100  46  91 1 #Up
            101  88  92 1 #Down
            102  91  89 1
            103   8  93 1
            104   1  93 1 #Up
            105   3  94 1 #Up
            106   6  95 1 #Down
            107  94  96 1
            108   5  97 1 #Up
            109   4  98 1 #Down
            110   7  99 1
            111  99 100 1
            112 100 101 1
            113 101 102 1
            114 102 103 1
            115   7 103 1
            116 100 104 1 #Up
            117 102 105 1 #Up
            118 101 106 1 #Down
            119 103 107 1 #Down
            120 107 108 1
            121 108 109 1
            122 108 110 2
            123 104 111 1
            124  71 112 1
            125 112 113 1
            126 113 114 1
            127 114 115 1
            128 115 116 1
            129  71 116 1
            130 114 117 1 #Up
            131 112 118 1 #Down
            132 115 119 1 #Down
            133 113 120 1 #Down
            134 119 121 1
            135  95 122 1
            136 122 123 1
            137 122 124 2
            138 123 125 1
            139 125 126 1
            140 126 127 1
            141 127 128 1
            142 128 129 1
            143 129 130 1
            144 130 131 1
            145 131 132 1

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