KEGG   COMPOUND: C07549Help
Entry
C07549                      Compound                               

Name
Doxacurium
Formula
C56H78N2O16
Exact mass
1034.5351
Mol weight
1035.2223
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 9752
ChEBI: 4706
ChEMBL: CHEMBL1237123
NIKKAJI: J282.922C
LinkDB All DBs
KCF data Show

ATOM        74
            1   C8y C    19.9074  -13.3661
            2   C1y C    21.1007  -14.0685
            3   C8y C    19.9074  -11.9697
            4   C8y C    18.7058  -14.0685
            5   N2y N    22.3195  -13.3745 #+
            6   C1b C    21.1007  -15.4564
            7   C8x C    18.7058  -11.2756
            8   C1x C    21.1175  -11.2841
            9   C8y C    17.4956  -13.3661
            10  O2a O    18.6972  -15.4564
            11  C1x C    22.3195  -11.9781
            12  C1b C    23.5127  -12.6805
            13  C1a C    23.6565  -14.0863
            14  C8y C    22.3025  -16.1419
            15  C8y C    17.4956  -11.9697
            16  O2a O    16.2855  -14.0685
            17  C1a C    17.4956  -16.1419
            18  C1b C    24.7229  -13.3661
            19  C8x C    22.3108  -17.5298
            20  C8x C    23.5041  -15.4478
            21  O2a O    16.2855  -11.2756
            22  C1a C    15.0837  -13.3661
            23  C1b C    25.9245  -12.6721
            24  C8y C    23.5127  -18.2238
            25  C8y C    24.7142  -16.1333
            26  C1a C    15.0837  -11.9611
            27  O7a O    27.1348  -13.3576
            28  C8y C    24.7142  -17.5214
            29  O2a O    23.5127  -19.6117
            30  O2a O    25.9161  -15.4309
            31  C7a C    28.3451  -12.6635
            32  O2a O    25.9161  -18.2152
            33  C1a C    24.7142  -20.3055
            34  C1a C    27.1179  -16.1249
            35  C1b C    29.5466  -13.3492
            36  O6a O    28.3364  -11.2672
            37  C1a C    27.1179  -17.5214
            38  C1b C    30.7485  -12.6552
            39  C7a C    31.9500  -13.3407
            40  O7a O    33.1603  -12.6466
            41  O6a O    31.9500  -14.7371
            42  C1b C    34.3621  -13.3407
            43  C1b C    35.5722  -12.6466
            44  C1b C    36.7739  -13.3323
            45  N2y N    37.9841  -12.6383 #+
            46  C1y C    39.1942  -13.3323
            47  C1x C    37.9841  -11.2417
            48  C1a C    36.7739  -11.9358
            49  C8y C    40.3878  -12.6383
            50  C1b C    39.1942  -15.2767
            51  C1x C    39.1942  -10.5479
            52  C8y C    40.3961  -11.2503
            53  C8y C    41.5894  -13.3323
            54  C8y C    37.9841  -15.9705
            55  C8x C    41.5980  -10.5479
            56  C8y C    42.7996  -12.6383
            57  O2a O    41.5894  -14.7115
            58  C8x C    36.7739  -15.2681
            59  C8x C    37.9841  -17.3670
            60  C8y C    42.7996  -11.2503
            61  O2a O    44.0014  -13.3323
            62  C1a C    42.7912  -15.4056
            63  C8y C    35.5637  -15.9705
            64  C8y C    36.7739  -18.0694
            65  O2a O    44.0014  -10.5479
            66  C1a C    45.2115  -12.6383
            67  C8y C    35.5637  -17.3755
            68  O2a O    34.3534  -15.2681
            69  O2a O    36.7739  -19.4489
            70  C1a C    45.2115  -11.2417
            71  O2a O    34.3534  -18.0610
            72  C1a C    33.1433  -15.9705
            73  C1a C    35.5637  -20.1427
            74  C1a C    33.1433  -17.3670
BOND        79
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    7  15 2
            15    9  16 1
            16   10  17 1
            17   12  18 1
            18   14  19 1
            19   14  20 2
            20   15  21 1
            21   16  22 1
            22   18  23 1
            23   19  24 2
            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   27  31 1
            31   28  32 1
            32   29  33 1
            33   30  34 1
            34   31  35 1
            35   31  36 2
            36   32  37 1
            37   35  38 1
            38   38  39 1
            39   39  40 1
            40   39  41 2
            41   40  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   45  47 1
            47   45  48 1
            48   46  49 1
            49   46  50 1
            50   47  51 1
            51   49  52 2
            52   49  53 1
            53   50  54 1
            54   52  55 1
            55   53  56 2
            56   53  57 1
            57   54  58 2
            58   54  59 1
            59   55  60 2
            60   56  61 1
            61   57  62 1
            62   58  63 1
            63   59  64 2
            64   60  65 1
            65   61  66 1
            66   63  67 2
            67   63  68 1
            68   64  69 1
            69   65  70 1
            70   67  71 1
            71   68  72 1
            72   69  73 1
            73   71  74 1
            74    8  11 1
            75    9  15 1
            76   25  28 2
            77   51  52 1
            78   56  60 1
            79   64  67 1

» Japanese version

DBGET integrated database retrieval system