KEGG   COMPOUND: C16500
Entry
C16500                      Compound                               
Name
20,26-Dihydroxyecdysone;
(2beta,3beta,5beta,22R)-2,3,14,20,22,25,26-Heptahydroxycholest-7-en-6-one
Formula
C27H44O8
Exact mass
496.3036
Mol weight
496.6335
Structure
Reaction
Pathway
map00981  Insect hormone biosynthesis
Enzyme
1.14.-.-
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C16500  20,26-Dihydroxyecdysone
Other DBs
CAS: 19458-46-9
PubChem: 47205796
ChEBI: 19793
LIPIDMAPS: LMST01010184
NIKKAJI: J16.079B
KCF data

ATOM        35
            1   C1z C    26.1147  -20.3078
            2   C2y C    24.9102  -21.0131
            3   C1z C    26.1209  -18.9162
            4   C1x C    28.5302  -20.2891
            5   O1a O    26.1147  -21.5922
            6   C1y C    23.7119  -20.3203
            7   C2x C    24.8914  -22.3237
            8   C1y C    27.3257  -18.2232
            9   C1x C    24.9039  -18.2296
            10  C1a C    26.0774  -17.5992
            11  C1x C    28.5302  -18.9287
            12  C1z C    22.5260  -21.0193
            13  C1x C    23.6994  -18.9348
            14  C5x C    23.7244  -23.0790
            15  C1d C    27.3318  -16.8689
            16  C1y C    22.5260  -22.3925
            17  C1x C    21.3340  -20.3391
            18  C1a C    22.5225  -19.5951
            19  O5x O    23.6994  -24.3584
            20  C1c C    28.5113  -16.1888
            21  C1a C    25.1785  -16.0423
            22  O1a O    27.0518  -15.3684
            23  C1x C    21.3340  -23.0851
            24  C1y C    20.1544  -21.0193
            25  C1b C    29.6847  -16.8753
            26  O1a O    28.4477  -14.3444
            27  C1y C    20.1544  -22.3925
            28  O1a O    18.9811  -20.3391
            29  C1b C    30.8642  -16.2013
            30  O1a O    18.9811  -23.0665
            31  C1d C    32.0315  -16.8814
            32  C1b C    33.2110  -16.2074
            33  C1a C    32.0315  -18.3121
            34  O1a O    33.2685  -17.4917
            35  O1a O    34.5633  -16.5697
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1 #Up
            15   12  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   14  19 2
            19   15  20 1
            20   15  21 1 #Down
            21   15  22 1
            22   16  23 1
            23   17  24 1
            24   20  25 1
            25   20  26 1 #Down
            26   23  27 1
            27   24  28 1 #Up
            28   25  29 1
            29   27  30 1 #Up
            30   29  31 1
            31   31  32 1
            32   31  33 1
            33   31  34 1
            34    8  11 1
            35    9  13 1
            36   14  16 1
            37   24  27 1
            38   32  35 1

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