KEGG   COMPOUND: C11589Help
Entry
C11589                      Compound                               

Name
BQ 518
Formula
C32H38N6O7S
Exact mass
650.2523
Mol weight
650.7451
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 13754
ChEBI: 2967
ChEMBL: CHEMBL2074702
NIKKAJI: J2.775.231D
KCF data Show

ATOM        46
            1   C8y C    30.9655  -23.0913
            2   C8x C    29.8524  -23.8317
            3   N4x N    30.2105  -25.1947
            4   C8y C    31.5501  -25.1852
            5   C8y C    32.0161  -23.9242
            6   C8x C    33.3399  -23.6983
            7   C8x C    34.1944  -24.7277
            8   C8x C    33.7286  -25.9887
            9   C8x C    32.4048  -26.2146
            10  C1y C    29.8062  -21.0767
            11  N1x N    27.4849  -21.0642
            12  C1y C    26.3237  -21.7307
            13  C1b C    26.3195  -23.0763
            14  C5x C    25.1741  -21.0515
            15  O5x O    25.1695  -19.9454
            16  C5x C    28.6489  -21.7366
            17  O5x O    28.6452  -23.0822
            18  C6a C    25.1572  -23.7396
            19  N1x N    29.7978  -19.7313
            20  C5x C    30.9594  -19.0549
            21  O5x O    32.1221  -19.7170
            22  C1y C    30.9369  -17.7093
            23  C1b C    30.9651  -21.7456
            24  N1x N    25.1340  -17.0543
            25  C1y C    26.2894  -16.3780
            26  C5x C    27.4518  -17.0472
            27  O5x O    27.4165  -18.3927
            28  N1x N    28.6071  -16.3709
            29  C8y C    26.2863  -15.0394
            30  C5x C    23.7882  -17.0822
            31  O5x O    23.1112  -15.9340
            32  C1b C    32.0897  -17.0298
            33  C1c C    33.2543  -17.6887
            34  C1a C    34.4140  -17.0091
            35  C1a C    33.2661  -19.0342
            36  O6a O    23.9949  -23.0643
            37  O6a O    25.1503  -25.0780
            38  N1y N    23.7770  -21.0776
            39  C1y C    23.0322  -19.9185
            40  C1x C    21.7005  -20.2661
            41  C1x C    21.6158  -21.6416
            42  C1x C    22.9018  -22.1438
            43  S2x S    27.3717  -14.2364
            44  C8x C    26.9518  -12.9669
            45  C8x C    25.6132  -12.9701
            46  C8x C    25.2062  -14.2413
BOND        50
            1     5   1 1
            2    10  23 1 #Down
            3     4   3 1
            4     4   5 2
            5    11  12 1
            6    12  13 1 #Down
            7    25  26 1
            8    26  27 2
            9    26  28 1
            10   24  25 1
            11   12  14 1
            12   25  29 1 #Down
            13   14  15 2
            14   24  30 1
            15   14  38 1
            16   30  31 2
            17   28  22 1
            18   39  30 1
            19    5   6 1
            20   22  32 1 #Up
            21   11  16 1
            22   32  33 1
            23    6   7 2
            24   33  34 1
            25   16  17 2
            26   33  35 1
            27   16  10 1
            28   18  36 1
            29    7   8 1
            30   18  37 2
            31   13  18 1
            32    8   9 2
            33   10  19 1
            34    9   4 1
            35   19  20 1
            36   38  39 1
            37   39  40 1 #Up
            38   40  41 1
            39   41  42 1
            40   42  38 1
            41   23   1 1
            42    1   2 2
            43   20  21 2
            44    2   3 1
            45   20  22 1
            46   29  43 1
            47   43  44 1
            48   44  45 2
            49   45  46 1
            50   46  29 2

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