KEGG   COMPOUND: C00477
Entry
C00477                      Compound                               
Name
Ecdysone;
(2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one
Formula
C27H44O6
Exact mass
464.3138
Mol weight
464.6347
Structure
Reaction
Pathway
map00981  Insect hormone biosynthesis
map04214  Apoptosis - fly
Enzyme
1.1.1.-         1.1.3.16        1.14.99.22      1.14.-.-        
1.-.-.-         2.3.1.139
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  27-Carbon atoms
   Cholestane derivatives
    C00477  Ecdysone
 Hormones and transmitters
  Steroid hormones
   Others
    C00477  Ecdysone
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cholestane
    C00477  Ecdysone
Other DBs
CAS: 3604-87-3
PubChem: 3760
ChEBI: 16688
LIPIDMAPS: LMST01010210
KNApSAcK: C00003651 C00048314
3DMET: B01257
NIKKAJI: J8.177I
LinkDB
KCF data

ATOM        33
            1   C2y C    17.4700  -17.4262
            2   C1z C    18.6635  -16.8103
            3   C1y C    16.2823  -16.7517
            4   C2x C    17.4700  -18.8611
            5   C1z C    18.6635  -15.3620
            6   C1x C    20.9807  -16.8103
            7   O1a O    18.6635  -18.1124
            8   C1z C    15.1060  -17.4378
            9   C1x C    16.2823  -15.3736
            10  C5x C    16.3639  -19.4729
            11  C1y C    19.8570  -14.6703
            12  C1x C    17.4643  -14.6817
            13  C1a C    18.6635  -13.9841
            14  C1x C    20.9807  -15.3736
            15  C1y C    15.1060  -18.7984
            16  C1x C    13.9299  -16.7689
            17  C1a C    15.1060  -16.0598
            18  O5x O    16.3639  -20.7357
            19  C1c C    19.8570  -13.3325
            20  C1x C    13.9299  -19.4788
            21  C1y C    12.7710  -17.4378
            22  C1c C    21.0274  -12.6637
            23  C1a C    18.6635  -12.3688
            24  C1y C    12.7710  -18.7984
            25  O1a O    11.5776  -16.7459
            26  C1b C    22.1922  -13.3441
            27  O1a O    21.0274  -11.2800
            28  O1a O    11.5717  -19.4788
            29  C1b C    23.3452  -12.6695
            30  C1d C    24.5098  -13.3499
            31  C1a C    25.6745  -12.6753
            32  C1a C    24.5098  -15.0350
            33  O1a O    25.6573  -14.0188
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 1 #Up
            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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