KEGG   DRUG: AvoparcinHelp
Entry
D03016                      Drug                                   

Name
Avoparcin (USAN/INN)
Formula
C83H92ClN9O31
Exact mass
1745.5588
Mol weight
1747.1133
Structure
Mol fileKCF fileDB search
Class
Antibacterial
 DG01580  Glycopeptide antibiotic
Efficacy
Antibacterial
Comment
Glycopeptide
Other DBs
CAS: 37332-99-3
PubChem: 17397172
LigandBox: D03016
NIKKAJI: J138.964E
LinkDB All DBs
KCF data Show

ATOM        124
            1   C1y C    34.8736  -32.4241
            2   C1y C    34.8736  -33.8211
            3   C1y C    36.0834  -34.5196
            4   C1x C    37.2933  -33.8211
            5   C1y C    37.2933  -32.4241
            6   O2x O    36.0834  -31.7256
            7   C1y C    48.2279  -22.7917
            8   C1x C    48.2279  -24.1193
            9   C1y C    49.4158  -24.8181
            10  C1y C    50.6037  -24.1193
            11  C1y C    50.6037  -22.7917
            12  O2x O    49.4158  -22.0929
            13  C1a C    51.7916  -22.0929
            14  O1a O    51.7916  -24.8181
            15  N1a N    49.4158  -26.2157
            16  C8y C    38.3750  -24.0495
            17  C8y C    39.5630  -23.3507
            18  C8y C    37.2570  -23.3507
            19  O2a O    38.3750  -25.3771
            20  C8x C    39.5630  -22.0230
            21  O2x O    40.7509  -24.0495
            22  C8x C    37.2570  -22.0230
            23  O2x O    36.0691  -24.0495
            24  C1y C    37.2570  -27.1940
            25  C8y C    38.3750  -21.3242
            26  C8y C    41.9388  -23.3507
            27  C8y C    34.8811  -23.3507
            28  C1y C    37.2570  -28.5217
            29  O2x O    36.0691  -26.4952
            30  C1y C    38.3750  -19.9266
            31  C8y C    41.9388  -22.0230
            32  C8x C    43.1267  -24.0495
            33  C8x C    33.6932  -24.0495
            34  C8x C    34.8811  -22.0230
            35  O2a O    38.7943  -30.1988
            36  C1y C    36.0691  -29.2205
            37  C1y C    34.8811  -27.1940
            38  C5x C    39.4931  -19.2279
            39  N1x N    37.1871  -19.2978
            40  C8x C    43.1267  -21.3242
            41  X   Cl   40.7509  -21.3242
            42  C8x C    44.2448  -23.3507
            43  C8x C    32.5052  -23.3507
            44  C8x C    33.6932  -21.3242
            45  C1y C    34.8811  -28.5915
            46  O1a O    36.0691  -30.5481
            47  C1b C    33.6932  -26.4952
            48  N1x N    40.6810  -19.9266
            49  O5x O    39.4931  -17.9002
            50  C5x C    35.9991  -19.9266
            51  C8y C    44.2448  -22.0230
            52  C8y C    32.5052  -22.0230
            53  O1a O    33.6932  -29.2205
            54  O1a O    32.3655  -26.4952
            55  C1y C    41.8689  -19.2279
            56  C1y C    34.8113  -19.2978
            57  O5x O    35.9991  -21.3242
            58  C1y C    45.4327  -21.3242
            59  C1y C    31.3174  -21.3242
            60  C8y C    41.8689  -17.9002
            61  C5x C    43.0569  -19.9266
            62  N1x N    33.6932  -19.9266
            63  C1y C    45.4327  -19.9266
            64  O2a O    46.5508  -22.3025
            65  C1y C    31.3174  -19.9966
            66  O1a O    30.1294  -22.0230
            67  C8x C    43.0569  -17.2014
            68  C8x C    40.6810  -17.2014
            69  N1x N    44.2448  -19.2279
            70  O5x O    44.0352  -20.8351
            71  C5x C    32.5052  -19.2978
            72  C5x C    46.6206  -19.2279
            73  N1b N    30.1294  -19.2978
            74  C8y C    43.0569  -15.8737
            75  C8x C    40.6810  -15.8737
            76  O5x O    32.5052  -17.9002
            77  N1x N    46.6206  -17.9002
            78  O5x O    47.7387  -19.9266
            79  C5a C    28.9415  -19.9266
            80  C8y C    44.2448  -15.1749
            81  C8y C    41.8689  -15.1749
            82  C1y C    45.4327  -17.2014
            83  C1c C    27.8234  -19.2978
            84  O5a O    28.9415  -21.3242
            85  C8y C    45.4327  -15.8737
            86  C8y C    44.2448  -13.8473
            87  O1a O    41.8689  -13.8473
            88  C6a C    47.6688  -15.9436
            89  N1b N    26.6355  -19.9266
            90  C8x C    46.5508  -15.1749
            91  C8x C    45.3628  -13.1485
            92  O1a O    43.0569  -13.1485
            93  O6a O    49.0664  -15.9436
            94  O6a O    47.6688  -14.5461
            95  C1a C    25.4476  -19.2978
            96  C8y C    46.5508  -13.8473
            97  O1a O    47.7387  -13.1485
            98  C8y C    34.8113  -17.9002
            99  C8x C    35.9991  -17.2014
            100 C8x C    35.9991  -15.8039
            101 C8y C    34.7413  -15.1051
            102 C8x C    33.5535  -15.8039
            103 C8x C    33.5535  -17.2014
            104 O1a O    34.7413  -13.7075
            105 C8y C    27.8234  -17.9002
            106 C1y C    26.6355  -13.0786
            107 C1y C    26.6355  -11.7510
            108 C1y C    25.4476  -11.0522
            109 C1y C    24.2596  -11.7510
            110 C1y C    24.2596  -13.0786
            111 O2x O    25.4476  -13.7774
            112 C8x C    29.0113  -17.2713
            113 C8x C    29.0113  -15.8737
            114 C8y C    27.8234  -15.1749
            115 C8x C    26.6355  -15.8737
            116 C8x C    26.6355  -17.2014
            117 O2a O    27.8234  -13.7774
            118 O1a O    23.0717  -11.0522
            119 C1a C    23.0018  -13.7774
            120 O1a O    27.8234  -11.0522
            121 O1a O    25.4476   -9.6546
            122 C1a C    33.6638  -31.7256
            123 O1a O    33.6638  -34.5196
            124 N1a N    36.0834  -35.9164
BOND        137
            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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    7  12 1
            13   11  13 1 #Up
            14   10  14 1 #Down
            15    9  15 1 #Down
            16   16  17 1
            17   16  18 2
            18   16  19 1
            19   17  20 2
            20   17  21 1
            21   18  22 1
            22   18  23 1
            23   24  19 1 #Up
            24   20  25 1
            25   21  26 1
            26   23  27 1
            27   24  28 1
            28   24  29 1
            29   25  30 1
            30   26  31 1
            31   26  32 2
            32   27  33 1
            33   27  34 2
            34   28  35 1 #Down
            35   28  36 1
            36   29  37 1
            37   30  38 1
            38   30  39 1 #Up
            39   31  40 2
            40   31  41 1
            41   32  42 1
            42   33  43 2
            43   34  44 1
            44   36  45 1
            45   36  46 1 #Up
            46   37  47 1 #Up
            47   38  48 1
            48   38  49 2
            49   39  50 1
            50   40  51 1
            51   43  52 1
            52   45  53 1 #Down
            53   47  54 1
            54   48  55 1
            55   50  56 1
            56   50  57 2
            57   51  58 1
            58   52  59 1
            59   55  60 1
            60   55  61 1 #Down
            61   56  62 1
            62   58  63 1
            63   58  64 1 #Down
            64   59  65 1
            65   59  66 1 #Up
            66   60  67 1
            67   60  68 2
            68   61  69 1
            69   61  70 2
            70   62  71 1
            71   63  72 1
            72   65  73 1 #Up
            73   67  74 2
            74   68  75 1
            75   71  76 2
            76   72  77 1
            77   72  78 2
            78   73  79 1
            79   74  80 1
            80   74  81 1
            81   77  82 1
            82   79  83 1
            83   79  84 2
            84   80  85 2
            85   80  86 1
            86   81  87 1
            87   82  88 1 #Down
            88   83  89 1 #Down
            89   85  90 1
            90   86  91 2
            91   86  92 1
            92   88  93 1
            93   88  94 2
            94   89  95 1
            95   90  96 2
            96   96  97 1
            97   22  25 2
            98   37  45 1
            99   42  51 2
            100  44  52 2
            101  63  69 1 #Down
            102  65  71 1 #Down
            103  75  81 2
            104  82  85 1
            105  91  96 1
            106   7  64 1 #Down
            107  56  98 1 #Up
            108  98  99 2
            109  99 100 1
            110 100 101 2
            111 101 102 1
            112 102 103 2
            113  98 103 1
            114 101 104 1
            115 106 107 1
            116 107 108 1
            117 108 109 1
            118 109 110 1
            119 110 111 1
            120 106 111 1
            121 112 105 1
            122 112 113 2
            123 113 114 1
            124 114 115 2
            125 115 116 1
            126 105 116 2
            127 114 117 1
            128 106 117 1 #Down
            129 109 118 1 #Down
            130 110 119 1 #Up
            131 107 120 1 #Up
            132 108 121 1 #Up
            133  83 105 1
            134   5  35 1 #Up
            135   1 122 1 #Down
            136   2 123 1 #Up
            137   3 124 1 #Up

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