KEGG   COMPOUND: C15963
Entry
C15963                      Compound                               
Name
Thermobiszeaxanthin-13-15
Formula
C80H128O14
Exact mass
1312.9304
Mol weight
1313.8639
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C15963  Thermobiszeaxanthin-13-15
Other DBs
PubChem: 47205276
ChEBI: 80212
LIPIDMAPS: LMPR01070111
NIKKAJI: J2.799.792I
KCF data

ATOM        94
            1   C1y C    53.6428  -19.1567
            2   O2x O    54.8350  -19.7878
            3   C1y C    56.0974  -19.1567
            4   C1y C    56.0272  -17.7541
            5   C1y C    54.8350  -17.0528
            6   C1y C    53.6428  -17.7541
            7   C1b C    57.2895  -19.8580
            8   O7a O    58.4817  -19.1567
            9   O1a O    57.2895  -16.9827
            10  O1a O    52.3805  -17.0528
            11  O1a O    54.7649  -15.6502
            12  C7a C    59.7441  -19.8580
            13  O6a O    59.7441  -21.2605
            14  C1b C    60.9363  -19.1567
            15  C1b C    62.1284  -19.7878
            16  C1b C    63.3206  -19.0866
            17  C1b C    64.5128  -19.7878
            18  C1c C    65.7050  -19.0866
            19  C1a C    66.8972  -19.7878
            20  C1a C    65.7050  -17.6840
            21  C2y C    25.7315  -22.5930
            22  C1z C    24.4692  -21.8917
            23  C2y C    25.7315  -23.9956
            24  C2b C    26.9237  -21.8917
            25  C1x C    23.2770  -22.5930
            26  C1a C    25.1705  -20.6294
            27  C1a C    23.7679  -20.6294
            28  C1x C    24.4692  -24.6969
            29  C1a C    26.9237  -24.6969
            30  C2b C    28.1159  -22.5930
            31  C1y C    23.2770  -23.9956
            32  C2c C    29.3782  -21.8917
            33  C2b C    30.5704  -22.5930
            34  C1a C    29.3782  -20.4891
            35  C2b C    31.7626  -21.8917
            36  C2b C    33.0249  -22.5930
            37  C2c C    34.2171  -21.8917
            38  C2b C    35.4093  -22.5930
            39  C1a C    34.2171  -20.4891
            40  C2b C    36.6716  -21.8917
            41  C2b C    37.8638  -22.5930
            42  C2b C    39.0560  -21.8917
            43  C2c C    40.2482  -22.5930
            44  C2b C    41.5105  -21.8917
            45  C1a C    40.2482  -23.9956
            46  C2b C    42.7027  -22.5930
            47  C2b C    43.8949  -21.8917
            48  C2c C    45.1572  -22.5930
            49  C2b C    46.3494  -21.9618
            50  C1a C    45.1572  -23.9956
            51  C2b C    47.6118  -22.6631
            52  C2y C    48.8741  -21.9618
            53  C1z C    50.0663  -22.6631
            54  C2y C    48.8741  -20.5593
            55  C1x C    51.2585  -21.9618
            56  C1a C    49.7156  -23.9956
            57  C1a C    50.7676  -23.8553
            58  C1x C    50.0663  -19.8580
            59  C1a C    47.6118  -19.8580
            60  C1y C    51.2585  -20.5593
            61  O2a O    22.0848  -24.6969
            62  C1y C    20.8225  -25.3280
            63  O2x O    19.6303  -24.6969
            64  C1y C    18.3680  -25.3280
            65  C1y C    18.4381  -26.7306
            66  C1y C    19.6303  -27.4319
            67  C1y C    20.8225  -26.7306
            68  C1b C    17.1758  -24.6267
            69  O7a O    15.9836  -25.3280
            70  O1a O    17.1758  -27.5020
            71  O1a O    22.0848  -27.4319
            72  O1a O    19.7004  -28.8345
            73  C7a C    14.7213  -24.6267
            74  O6a O    14.7213  -23.2242
            75  C1b C    13.5291  -25.3280
            76  C1b C    12.3369  -24.6969
            77  C1b C    11.1447  -25.3982
            78  C1b C     9.9525  -24.6969
            79  C1c C     8.7603  -25.3982
            80  C1a C     7.5681  -24.6969
            81  C1a C     8.7603  -26.8007
            82  O2a O    52.4760  -19.8629
            83  C1b C    11.1447  -25.3982
            84  C1b C    11.1447  -25.3982
            85  C1b C    11.1447  -25.3982
            86  C1b C    11.1447  -25.3982
            87  C1b C    11.1447  -25.3982
            88  C1b C    63.3206  -19.0866
            89  C1b C    63.3206  -19.0866
            90  C1b C    63.3206  -19.0866
            91  C1b C    63.3206  -19.0866
            92  C1b C    63.3206  -19.0866
            93  C1b C    63.3206  -19.0866
            94  C1b C    63.3206  -19.0866
BOND        97
            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     3   7 1 #Up
            9     4   9 1 #Down
            10    6  10 1 #Down
            11    5  11 1 #Up
            12    8  12 1
            13   12  13 2
            14   12  14 1
            15   14  15 1
            16   17  18 1
            17   18  19 1
            18   18  20 1
            19   21  22 1
            20   21  23 2
            21   21  24 1
            22   22  25 1
            23   22  26 1
            24   22  27 1
            25   23  28 1
            26   23  29 1
            27   24  30 2
            28   25  31 1
            29   30  32 1
            30   32  33 2
            31   32  34 1
            32   33  35 1
            33   35  36 2
            34   36  37 1
            35   37  38 2
            36   37  39 1
            37   38  40 1
            38   40  41 2
            39   41  42 1
            40   42  43 2
            41   43  44 1
            42   43  45 1
            43   44  46 2
            44   46  47 1
            45   47  48 2
            46   48  49 1
            47   48  50 1
            48   49  51 2
            49   51  52 1
            50   52  53 1
            51   52  54 2
            52   53  55 1
            53   53  56 1
            54   53  57 1
            55   54  58 1
            56   54  59 1
            57   55  60 1
            58   58  60 1
            59   31  28 1
            60   31  61 1 #Up
            61   62  63 1
            62   63  64 1
            63   64  65 1
            64   65  66 1
            65   66  67 1
            66   62  67 1
            67   61  62 1
            68   68  69 1
            69   64  68 1 #Up
            70   65  70 1 #Down
            71   67  71 1 #Down
            72   66  72 1 #Up
            73   69  73 1
            74   73  74 2
            75   73  75 1
            76   75  76 1
            77   78  79 1
            78   79  80 1
            79   79  81 1
            80   60  82 1 #Up
            81    1  82 1
            82   76  77 1
            83   77  83 1
            84   83  84 1
            85   84  85 1
            86   85  86 1
            87   86  87 1
            88   87  78 1
            89   15  16 1
            90   16  88 1
            91   88  89 1
            92   89  90 1
            93   90  91 1
            94   91  92 1
            95   92  93 1
            96   93  94 1
            97   94  17 1
BRACKET     1    10.5000  -26.1800   10.5000  -23.9400
            1    11.6200  -23.9400   11.6200  -26.1800
            1  6
 ORIGINAL  1   77
 REPEAT    1   83  84  85  86  87
            2    62.8600  -20.7900   62.8600  -18.5500
            2    63.9800  -18.5500   63.9800  -20.7900
            2  8
 ORIGINAL  2   16
 REPEAT    2   88  89  90  91  92  93  94

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