KEGG   COMPOUND: C13781
Entry
C13781                      Compound                               
Name
Teicoplanin A2;
Teichomycin A2
Formula
C78H78Cl2N9O32R
Structure
Comment
Generic compound
Teicoplanin A2-1 (R = CO(CH2)2(CH)2(CH2)4CH3) [CPD:C13587]
Teicoplanin A2-2 (R = CO(CH2)6CH(CH3)2) [CPD:C12046]
Teicoplanin A2-3 (R = CO(CH2)8CH3) [CPD:C13588]
Teicoplanin A2-4 (R = CO(CH2)6CH(CH3)CH2CH3) [CPD:C13610]
Teicoplanin A2-5 (R = CO(CH2)7CH(CH3)2) [CPD:C13612]
Other DBs
CAS: 61036-64-4
PubChem: 854026
ChEBI: 34994
KCF data

ATOM        122
            1   C1y C    39.1280  -14.1692
            2   O2x O    40.3450  -14.8355
            3   C1y C    41.5412  -14.1082
            4   C1y C    41.5095  -12.7086
            5   C1y C    40.2924  -12.0423
            6   C1y C    39.0962  -12.7696
            7   C1y C    29.5400  -17.9900
            8   C8y C    37.9400  -17.3600
            9   C8y C    36.7500  -18.0600
            10  C8y C    39.1300  -17.9900
            11  C8x C    36.7500  -19.4600
            12  O2x O    35.5600  -17.3600
            13  C8x C    39.1300  -19.3900
            14  O2x O    40.3900  -17.2900
            15  C8y C    38.0100  -20.0900
            16  C8y C    34.3700  -18.0600
            17  C8y C    41.5800  -17.9900
            18  C1y C    38.0100  -22.2600
            19  C8y C    34.3700  -19.4600
            20  C8x C    33.1100  -17.3600
            21  C8y C    42.7700  -17.2900
            22  C8x C    41.5800  -19.3200
            23  C5x C    36.8900  -22.9600
            24  N1x N    39.2700  -22.8900
            25  C8x C    33.1800  -20.1600
            26  X   Cl   35.5600  -20.1600
            27  C8x C    31.9900  -18.0600
            28  C8x C    43.9600  -17.9200
            29  X   Cl   42.7700  -15.8900
            30  C8x C    42.8400  -20.0200
            31  N1x N    35.6300  -22.2600
            32  O5x O    36.8900  -24.3600
            33  C5x C    40.4600  -22.1900
            34  C8y C    31.9900  -19.4600
            35  C8y C    43.9600  -19.3200
            36  C1y C    34.5100  -22.9600
            37  C1y C    41.6500  -22.8200
            38  O5x O    40.4600  -20.7900
            39  C1y C    30.8000  -20.2300
            40  C1x C    45.2200  -20.0200
            41  C8y C    34.5100  -24.3600
            42  C5x C    33.2500  -22.2600
            43  N1x N    42.8400  -22.1200
            44  C1y C    30.8000  -22.2600
            45  O2a O    29.5400  -19.5300
            46  C1y C    45.2200  -22.1200
            47  C8x C    33.2500  -25.0600
            48  C8x C    35.7000  -25.0600
            49  N1x N    32.0600  -22.9600
            50  C5x C    44.0300  -22.8200
            51  C5x C    29.6100  -23.0300
            52  C8y C    33.2500  -26.4600
            53  C8x C    35.7000  -26.4600
            54  O5x O    44.0300  -24.2200
            55  N1x N    29.6100  -24.3600
            56  O5x O    28.3500  -22.3300
            57  C8y C    32.0600  -27.1600
            58  C8y C    34.5100  -27.1600
            59  C1y C    30.8700  -25.0600
            60  C8y C    30.8700  -26.4600
            61  C8y C    32.0600  -28.5600
            62  O1a O    34.5100  -28.5600
            63  C6a C    28.5600  -26.4600
            64  C8x C    29.7500  -27.1600
            65  C8x C    30.9400  -29.2600
            66  O2a O    33.3200  -29.2600
            67  O6a O    27.1600  -26.4600
            68  O6a O    28.5600  -27.8600
            69  C8y C    29.7500  -28.5600
            70  O1a O    28.4900  -29.3300
            71  C1y C    33.3200  -30.6600
            72  C8y C    41.6500  -24.2200
            73  C8x C    40.4600  -24.9200
            74  C8y C    40.4600  -26.3200
            75  C8x C    41.6500  -27.0200
            76  C8y C    42.8400  -26.3200
            77  C8x C    42.8400  -24.9200
            78  O1a O    39.2700  -27.0200
            79  O5x O    33.2500  -20.8600
            80  O2x O    44.0553  -27.0151
            81  C8y C    44.0611  -28.4197
            82  C8y C    42.8285  -29.1386
            83  C8x C    42.8346  -30.5385
            84  C8x C    44.0501  -31.2332
            85  C8y C    45.2828  -30.5143
            86  C8x C    45.2766  -29.1143
            87  O1a O    41.6138  -28.4444
            88  C1y C    46.5062  -31.2135
            89  C5x C    47.6931  -30.5211
            90  O5x O    48.8907  -31.2056
            91  N1x N    47.6953  -22.8151
            92  N1a N    46.5125  -32.6196
            93  O2a O    37.9086  -14.9104
            94  C1b C    42.7579  -14.7747
            95  N1b N    37.8825  -12.1046
            96  O1a O    43.9652  -14.0410
            97  O1a O    40.2606  -10.6413
            98  O1a O    42.6921  -11.9899
            99  R   R    36.6745  -12.8385
            100 O2x O    30.7524  -17.2900
            101 C1y C    30.7524  -15.8900
            102 C1y C    29.5400  -15.1900
            103 C1y C    28.3276  -15.8900
            104 C1y C    28.3276  -17.2900
            105 C1b C    31.9479  -15.1996
            106 O1a O    27.1321  -15.1996
            107 O1a O    29.5400  -13.7900
            108 N1b N    27.1321  -17.9804
            109 C5a C    27.1320  -19.3897
            110 C1a C    25.9406  -20.0778
            111 O5a O    28.3654  -20.1021
            112 O1a O    33.1353  -15.8851
            113 C1y C    32.1076  -31.3600
            114 C1y C    32.1076  -32.7600
            115 C1y C    33.3200  -33.4600
            116 C1y C    34.5324  -32.7600
            117 O2x O    34.5324  -31.3600
            118 O1a O    33.3200  -34.8600
            119 O1a O    30.9121  -30.6696
            120 C1b C    35.7279  -33.4504
            121 O1a O    30.9121  -33.4504
            122 O1a O    36.9153  -32.7649
BOND        135
            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  95  99 1
            111   7 100 1
            112 100 101 1
            113 101 102 1
            114 102 103 1
            115 103 104 1
            116   7 104 1
            117 101 105 1 #Up
            118 103 106 1 #Up
            119 102 107 1 #Down
            120 104 108 1 #Down
            121 108 109 1
            122 109 110 1
            123 109 111 2
            124 105 112 1
            125  71 113 1
            126 113 114 1
            127 114 115 1
            128 115 116 1
            129 116 117 1
            130  71 117 1
            131 115 118 1 #Up
            132 113 119 1 #Down
            133 116 120 1 #Down
            134 114 121 1 #Down
            135 120 122 1

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