KEGG   COMPOUND: C02513Help
Entry
C02513                      Compound                               

Name
3-Dehydroecdysone
Formula
C27H42O6
Exact mass
462.2981
Mol weight
462.6188
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Insect hormone biosynthesis
Enzyme
1.1.1.-         1.1.3.16
Other DBs
CAS: 
39750-00-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C2y C    17.2675  -16.2102
            2   C1z C    18.4719  -15.5113
            3   C1y C    15.9993  -15.5238
            4   C2x C    17.3187  -17.5207
            5   C1z C    18.4781  -14.1196
            6   C1x C    20.8870  -15.5563
            7   O1a O    18.5419  -16.8592
            8   C1z C    14.8774  -16.2164
            9   C1x C    16.0568  -14.1321
            10  C5x C    16.1454  -18.2820
            11  C1y C    19.6826  -13.4207
            12  C1x C    17.2612  -13.4270
            13  C1a C    18.5044  -12.7967
            14  C1x C    20.8807  -14.1259
            15  C1y C    14.8774  -17.5894
            16  C1x C    13.6855  -15.5424
            17  C1a C    14.8800  -14.8623
            18  O5x O    16.1968  -19.5552
            19  C1c C    19.6888  -12.0665
            20  C1x C    13.6855  -18.2820
            21  C1y C    12.5122  -16.2164
            22  C1c C    20.8620  -11.3925
            23  C1a C    18.3755  -11.3100
            24  C5x C    12.5122  -17.5894
            25  O1a O    11.3390  -15.5424
            26  C1b C    22.0353  -12.0728
            27  O1a O    20.8682  -10.1721
            28  O5x O    11.3328  -18.2634
            29  C1b C    23.2147  -11.3988
            30  C1d C    24.3880  -12.0789
            31  C1a C    25.5674  -11.4050
            32  C1a C    24.3816  -13.5093
            33  O1a O    25.5486  -12.7592
BOND        36
            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 2
            28   26  29 1
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 1
            33    9  12 1
            34   10  15 1
            35   11  14 1
            36   21  24 1

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