KEGG   COMPOUND: C13867
Entry
C13867                      Compound                               
Name
1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol
Formula
C57H88O8
Exact mass
900.6479
Mol weight
901.3038
Structure
Brite
Lipids [BR:br08002]
 GL  Glycerolipids
  GL03 Triradylglycerols
   GL0305 Estolides
    C13867  1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol
Other DBs
PubChem: 854112
ChEBI: 34041
3DMET: B05657
NIKKAJI: J2.787.055D
LinkDB
KCF data

ATOM        65
            1   C2b C    28.1482  -17.5839
            2   C1b C    29.3198  -16.9277
            3   C1b C    30.5383  -17.5839
            4   C1b C    31.7100  -16.9277
            5   C1b C    32.8817  -17.5839
            6   C1b C    34.1002  -16.9277
            7   C1b C    35.2719  -17.5839
            8   C1b C    36.4436  -16.9277
            9   C7a C    37.6153  -17.5839
            10  O7a O    39.0213  -16.7872
            11  O6a O    37.6153  -18.9899
            12  C2b C    26.7890  -17.5839
            13  C1b C    25.6173  -16.9277
            14  C2b C    24.3988  -17.5839
            15  C2b C    23.0396  -17.5839
            16  C1b C    21.8679  -16.9277
            17  C2b C    20.6962  -17.5839
            18  C2b C    19.2903  -17.5839
            19  C1b C    18.1186  -16.9277
            20  C1a C    16.9469  -17.5839
            21  C1c C    40.3804  -16.7872
            22  C1b C    41.2709  -18.6618
            23  C1b C    41.0834  -15.6155
            24  O7a O    40.4273  -14.4438
            25  O7a O    40.5679  -19.8804
            26  C2b C    29.6010  -20.5833
            27  C1b C    30.8196  -19.8804
            28  C1b C    32.0381  -20.5833
            29  C1b C    33.2567  -19.8804
            30  C1b C    34.4752  -20.5833
            31  C1b C    35.6937  -19.8804
            32  C1b C    36.9123  -20.5833
            33  C1b C    38.1308  -19.8804
            34  C7a C    39.3493  -20.5833
            35  O6a O    39.3493  -21.9893
            36  C2b C    28.1950  -20.5833
            37  C1b C    26.9765  -19.8804
            38  C2b C    25.7591  -20.5837
            39  C2b C    24.3519  -20.5833
            40  C1b C    23.1334  -19.8804
            41  C2b C    21.9160  -20.5837
            42  C2b C    20.5088  -20.5833
            43  C1b C    19.2847  -19.8950
            44  C1a C    18.0775  -20.6102
            45  C7a C    39.2111  -13.7205
            46  C1b C    37.9949  -14.4222
            47  O6a O    39.2203  -12.3174
            48  C1b C    36.7799  -13.7202
            49  C1b C    35.5634  -14.4220
            50  C2b C    34.1593  -14.4222
            51  C0  C    32.7597  -14.4247
            52  C2b C    31.3561  -14.4247
            53  C1b C    30.1397  -15.1265
            54  O7a O    28.9233  -14.4247
            55  C7a C    27.7068  -15.1265
            56  C2b C    26.4904  -14.4247
            57  O6a O    27.7068  -16.2961
            58  C2b C    25.2740  -15.1265
            59  C2b C    24.0575  -14.4247
            60  C2b C    22.6539  -14.4247
            61  C1b C    21.4375  -15.1265
            62  C1b C    20.2222  -14.4243
            63  C1b C    19.0054  -15.1263
            64  C1b C    17.7896  -14.4238
            65  C1a C    16.5724  -15.1260
BOND        64
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 2
            11    1  12 2
            12   12  13 1
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   21  10 1
            21   21  22 1
            22   21  23 1
            23   23  24 1
            24   22  25 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   29  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  25 1
            34   34  35 2
            35   26  36 2
            36   36  37 1
            37   37  38 1
            38   38  39 2
            39   39  40 1
            40   40  41 1
            41   41  42 2
            42   42  43 1
            43   43  44 1
            44   24  45 1
            45   45  46 1
            46   45  47 2
            47   46  48 1
            48   48  49 1
            49   49  50 1
            50   50  51 2
            51   51  52 2
            52   52  53 1
            53   53  54 1
            54   54  55 1
            55   55  56 1
            56   55  57 2
            57   56  58 2
            58   58  59 1
            59   59  60 2
            60   60  61 1
            61   61  62 1
            62   62  63 1
            63   63  64 1
            64   64  65 1

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