KEGG   COMPOUND: C02633
Entry
C02633                      Compound                               
Name
20-Hydroxyecdysone;
Crustecdysone;
Ecdysterone;
(2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one
Formula
C27H44O7
Exact mass
480.3087
Mol weight
480.6341
Structure
Reaction
Pathway
map00981  Insect hormone biosynthesis
Enzyme
1.14.99.22      1.14.-.-
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C02633  20-Hydroxyecdysone
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cholestane
    C02633  20-Hydroxyecdysone
Other DBs
CAS: 5289-74-7
PubChem: 5613
ChEBI: 16587
LIPIDMAPS: LMST01010209
KNApSAcK: C00003654
PDB-CCD: 20E[PDBj]
3DMET: B04858
NIKKAJI: J13.425B
LinkDB
KCF data

ATOM        34
            1   C1z C    18.4221  -15.4840
            2   C2y C    17.2171  -16.1896
            3   C1z C    18.4283  -14.0918
            4   C1x C    20.8385  -15.4653
            5   O1a O    18.4221  -16.7689
            6   C1y C    16.0183  -15.4965
            7   C2x C    17.1983  -17.5007
            8   C1y C    19.6335  -13.3986
            9   C1x C    17.2108  -13.4050
            10  C1a C    18.3847  -12.7743
            11  C1x C    20.8385  -14.1043
            12  C1z C    14.8319  -16.1958
            13  C1x C    16.0058  -14.1104
            14  C5x C    16.0308  -18.2563
            15  C1d C    19.6396  -12.0437
            16  C1y C    14.8319  -17.5695
            17  C1x C    13.6394  -15.5153
            18  C1a C    14.8284  -14.7710
            19  O5x O    16.0058  -19.5362
            20  C1c C    20.8196  -11.3633
            21  C1a C    18.3958  -11.4969
            22  O1a O    19.6396  -10.5426
            23  C1x C    13.6394  -18.2624
            24  C1y C    12.4594  -16.1958
            25  C1b C    21.9935  -12.0501
            26  O1a O    20.7560  -10.0784
            27  C1y C    12.4594  -17.5695
            28  O1a O    11.2856  -15.5153
            29  C1b C    23.1735  -11.3758
            30  O1a O    11.2856  -18.2438
            31  C1d C    24.3412  -12.0562
            32  C1a C    25.5212  -11.3819
            33  C1a C    24.3412  -13.4875
            34  O1a O    25.5787  -12.6668
BOND        37
            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
            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

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