KEGG   COMPOUND: C02681
Entry
C02681                      Compound                               
Name
Ecdysone palmitate;
Ecdysone 3-palmitate
Formula
C43H74O7
Exact mass
702.5435
Mol weight
703.0435
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0102 Steryl esters
    C02681  Ecdysone palmitate
Other DBs
PubChem: 5650
ChEBI: 17551
LIPIDMAPS: LMST01020036
NIKKAJI: J2.739.404C
KCF data

ATOM        50
            1   C2y C    26.1320  -18.1806
            2   C1z C    27.3443  -17.4707
            3   C1y C    24.9195  -17.4839
            4   C2x C    26.1118  -19.5068
            5   C1z C    27.3511  -16.0707
            6   C1x C    29.7325  -17.4839
            7   O1a O    27.3443  -18.8370
            8   C1z C    23.7206  -18.1872
            9   C1x C    24.9061  -16.0841
            10  C5x C    24.9329  -20.2704
            11  C1y C    28.5700  -15.3673
            12  C1x C    26.1252  -15.3739
            13  C1a C    27.3741  -14.5978
            14  C1x C    29.7825  -16.0773
            15  C1y C    23.7206  -19.5738
            16  C1x C    22.5215  -17.5041
            17  C1a C    23.7200  -16.8209
            18  O5x O    24.9061  -21.5565
            19  C1c C    28.5700  -14.0008
            20  C1x C    22.5215  -20.2771
            21  C1y C    21.3294  -18.1872
            22  C1c C    29.7623  -13.3176
            23  C1a C    27.3911  -13.3110
            24  C1y C    21.3294  -19.5738
            25  O1a O    20.1437  -17.5041
            26  C1b C    30.9480  -14.0076
            27  O1a O    29.7691  -11.9445
            28  O7a O    20.1437  -20.2569
            29  C1b C    32.1335  -13.3244
            30  C7a C    18.9582  -19.5672
            31  C1d C    33.3192  -14.0142
            32  C1b C    17.7725  -20.2503
            33  O6a O    18.9582  -18.2006
            34  C1a C    34.5047  -13.3310
            35  C1a C    33.3124  -15.3873
            36  O1a O    34.4913  -14.6976
            37  C1b C    16.5870  -19.5672
            38  C1b C    15.4013  -20.2503
            39  C1b C    14.2158  -19.5672
            40  C1b C    13.0302  -20.2503
            41  C1b C    11.8447  -19.5672
            42  C1b C    10.6590  -20.2435
            43  C1b C    10.6792  -21.6435
            44  C1b C    11.8111  -22.3201
            45  C1b C    13.0101  -21.6637
            46  C1b C    14.2024  -22.3335
            47  C1b C    15.3813  -21.6369
            48  C1b C    16.5736  -22.3135
            49  C1b C    17.7525  -21.6167
            50  C1a C    18.9448  -22.2866
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    8  15 1
            15    8  16 1
            16    8  17 1 #Up
            17   10  18 2
            18   11  19 1 #Up
            19   15  20 1
            20   16  21 1
            21   19  22 1
            22   19  23 1 #Down
            23   20  24 1
            24   21  25 1 #Up
            25   22  26 1
            26   22  27 1 #Down
            27   24  28 1 #Up
            28   26  29 1
            29   28  30 1
            30   29  31 1
            31   30  32 1
            32   30  33 2
            33   31  34 1
            34   31  35 1
            35   31  36 1
            36   32  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50    9  12 1
            51   10  15 1
            52   11  14 1
            53   21  24 1

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