KEGG   COMPOUND: C11314
Entry
C11314                      Compound                               
Name
Oligomycin D;
Rutamycin
Formula
C44H72O11
Exact mass
776.5075
Mol weight
777.0359
Structure
Remark
Same as: D05778
Other DBs
CAS: 1404-59-7
PubChem: 13489
ChEBI: 7753
NIKKAJI: J14.347B
LinkDB
KCF data

ATOM        55
            1   C1y C    21.0865  -42.4422
            2   C1b C    22.2773  -43.1426
            3   C1c C    23.7484  -42.4422
            4   O1a O    23.7484  -41.0412
            5   C1x C    18.7049  -41.0412
            6   C1x C    18.7049  -42.4422
            7   C1y C    19.8957  -43.1426
            8   O2x O    21.0865  -41.0412
            9   C1z C    19.8957  -40.3407
            10  C1b C    15.2024  -32.0049
            11  C1c C    16.3933  -31.3044
            12  C2b C    15.2024  -33.4059
            13  C2b C    14.0116  -34.1064
            14  C2b C    14.0116  -35.4373
            15  C2b C    15.2024  -36.1378
            16  C1c C    15.2024  -37.5388
            17  C1b C    16.3933  -38.2392
            18  C1c C    17.5841  -32.0049
            19  C1d C    18.7749  -31.3044
            20  C5a C    19.9657  -32.0049
            21  C1c C    21.2266  -31.3044
            22  C1c C    22.4174  -32.0049
            23  C5a C    24.8691  -32.0049
            24  C1c C    23.6083  -31.3044
            25  C1c C    24.8691  -33.4059
            26  C1c C    25.9899  -35.5073
            27  C1c C    26.0600  -34.1064
            28  C2b C    24.7991  -36.2078
            29  C7a C    23.5382  -38.3093
            30  C2b C    24.7991  -37.6088
            31  O7a O    22.3474  -37.5388
            32  C1y C    21.0865  -38.2392
            33  C1y C    19.8957  -37.5388
            34  C1b C    17.5140  -37.4687
            35  C1y C    18.7049  -38.1692
            36  C1a C    16.3933  -29.9035
            37  O1a O    17.5841  -33.4059
            38  C1a C    19.7556  -30.3238
            39  O1a O    17.7942  -30.3238
            40  O5a O    19.9657  -33.4059
            41  C1a C    21.2266  -29.9035
            42  O1a O    22.4174  -33.4059
            43  C1a C    23.6083  -29.9035
            44  O5a O    26.0600  -31.3044
            45  C1a C    23.6083  -34.1064
            46  O1a O    27.2508  -33.4059
            47  C1a C    27.2508  -36.2078
            48  O6a O    23.5382  -39.7103
            49  C1a C    19.8957  -36.1378
            50  C1b C    13.9416  -38.2392
            51  C1a C    12.7507  -37.5388
            52  C1x C    21.0865  -39.6402
            53  O2x O    18.7049  -39.6402
            54  C1a C    19.8957  -44.5436
            55  C1a C    24.9392  -43.1426
BOND        57
            1    29  30 1
            2     5   9 1
            3     6   7 1
            4    31  32 1
            5    33  32 1
            6     7   1 1
            7    15  16 1
            8    16  17 1
            9    33  35 1
            10   34  35 1
            11   17  34 1
            12   11  36 1 #Up
            13    1   8 1
            14   18  37 1 #Up
            15    9   8 1 #Down
            16   19  38 1 #Down
            17   18  19 1
            18   19  39 1 #Up
            19   20  19 1
            20   20  40 2
            21   10  12 1
            22   21  41 1 #Up
            23   22  42 1 #Up
            24   20  21 1
            25   24  43 1 #Up
            26   22  21 1
            27   23  44 2
            28    1   2 1
            29   25  45 1 #Down
            30   10  11 1
            31   27  46 1 #Down
            32   18  11 1
            33   26  47 1 #Up
            34   22  24 1
            35   29  48 2
            36   25  23 1
            37   23  24 1
            38   33  49 1 #Up
            39    2   3 1
            40    3   4 1 #Down
            41    5   6 1
            42   16  50 1
            43   25  27 1
            44   50  51 1
            45   28  26 1
            46   32  52 1
            47   26  27 1
            48   52   9 1
            49   12  13 2
            50    9  53 1
            51   53  35 1
            52   13  14 1
            53    7  54 1 #Up
            54   14  15 2
            55   28  30 2
            56    3  55 1
            57   31  29 1

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