KEGG   COMPOUND: C08032Help
Entry
C08032                      Compound                               

Name
Quinupristin
Formula
C53H67N9O10S
Exact mass
1021.4732
Mol weight
1022.2184
Structure
Mol fileKCF fileDB search
Remark
Same as: D00852
Other DBs
CAS: 120138-50-3
PubChem: 10232
ChEBI: 8732
ChEMBL: CHEMBL1200649
NIKKAJI: J492.986A
LinkDB All DBs
KCF data Show

ATOM        73
            1   N1y N    30.2681  -16.9221
            2   C1y C    30.2681  -18.2213
            3   C5x C    31.4989  -16.2383
            4   C1x C    29.1056  -16.2383
            5   C5x C    31.4305  -18.9051
            6   C1x C    29.1056  -18.9051
            7   C1y C    27.9432  -16.9221
            8   N1x N    32.6614  -18.2213
            9   O5x O    31.4305  -20.2727
            10  C5x C    27.9432  -18.2213
            11  C1b C    26.7807  -16.2383
            12  C1y C    33.8238  -18.9051
            13  O5x O    26.7807  -18.9051
            14  S2a S    25.6183  -16.9221
            15  C8y C    33.8238  -20.2727
            16  C7x C    34.9863  -18.2213
            17  C1y C    24.4558  -16.2383
            18  C8x C    32.6614  -20.9565
            19  C8x C    34.9863  -20.9565
            20  O7x O    36.1488  -18.9051
            21  O6a O    34.9863  -16.8537
            22  C1y C    23.2933  -16.9221
            23  C1x C    24.4558  -14.8707
            24  C8x C    32.6614  -22.3241
            25  C8x C    34.9863  -22.2557
            26  C1y C    37.3112  -18.2213
            27  C1x C    22.6095  -15.7596
            28  C1x C    22.1309  -16.2383
            29  N1y N    23.2933  -14.1869
            30  C8x C    33.8238  -22.9395
            31  C1y C    38.4737  -18.9051
            32  C1x C    23.9771  -15.3493
            33  C1x C    22.1309  -14.8707
            34  N1b N    38.5421  -21.5035
            35  C5a C    39.7046  -22.1873
            36  C8y C    39.7046  -23.4865
            37  O5a O    40.8671  -21.5035
            38  C8y C    40.8671  -24.1703
            39  N5x N    38.5421  -24.1703
            40  C8x C    40.8671  -25.5379
            41  O1a O    42.0295  -23.4865
            42  C8x C    38.5421  -25.5379
            43  C8x C    39.7046  -26.2217
            44  C1y C    31.4989  -14.8707
            45  O5x O    32.6614  -16.9221
            46  N1y N    32.6614  -14.1185
            47  C1b C    30.2681  -14.2552
            48  C8y C    30.2681  -12.8876
            49  C8x C    31.4305  -12.1355
            50  C8x C    31.4305  -10.7679
            51  C8y C    30.1997  -10.1524
            52  C8x C    29.0373  -10.8362
            53  C8x C    29.0373  -12.2038
            54  N1c N    30.1997   -8.7848
            55  C1a C    31.4305   -8.1693
            56  C1a C    29.0373   -8.0326
            57  C5x C    33.8238  -14.8023
            58  C1a C    32.6614  -12.7509
            59  O5x O    33.8238  -16.1699
            60  C5x C    39.6362  -18.2213
            61  N1x N    39.6362  -16.8537
            62  O5x O    40.7987  -18.9051
            63  C1a C    37.3112  -20.1359
            64  C1y C    38.4737  -16.1699
            65  C5x C    38.4737  -14.8023
            66  C1b C    37.2428  -16.8537
            67  C1a C    36.2171  -15.7596
            68  O5x O    39.6362  -14.1185
            69  N1y N    36.9009  -13.5031
            70  C1y C    35.5333  -13.5031
            71  C1x C    37.3112  -12.2038
            72  C1x C    36.2171  -11.3833
            73  C1x C    35.1231  -12.2038
BOND        80
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    8  12 1
            12   10  13 2
            13   11  14 1
            14   12  15 1 #Down
            15   12  16 1
            16   17  14 1 #Up
            17   15  18 2
            18   15  19 1
            19   16  20 1
            20   16  21 2
            21   17  22 1
            22   17  23 1
            23   18  24 1
            24   19  25 2
            25   20  26 1
            26   22  27 1
            27   22  28 1
            28   23  29 1
            29   24  30 2
            30   26  31 1
            31   27  32 1
            32   28  33 1
            33   31  34 1 #Up
            34   34  35 1
            35   35  36 1
            36   35  37 2
            37   36  38 1
            38   36  39 2
            39   38  40 2
            40   38  41 1
            41   39  42 1
            42   40  43 1
            43    7  10 1
            44   25  30 1
            45   29  32 1
            46   29  33 1
            47   42  43 2
            48    3  44 1
            49    3  45 2
            50   44  46 1
            51   44  47 1 #Down
            52   47  48 1
            53   48  49 2
            54   49  50 1
            55   50  51 2
            56   51  52 1
            57   52  53 2
            58   48  53 1
            59   51  54 1
            60   54  55 1
            61   54  56 1
            62   46  57 1
            63   46  58 1
            64   57  59 2
            65   31  60 1
            66   60  61 1
            67   60  62 2
            68   26  63 1 #Down
            69   61  64 1
            70   64  65 1
            71   64  66 1 #Down
            72   66  67 1
            73   65  68 2
            74   70  69 1
            75   69  71 1
            76   71  72 1
            77   72  73 1
            78   70  73 1
            79   57  70 1
            80   69  65 1

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