KEGG   COMPOUND: C00477Help
Entry
C00477                      Compound                               

Name
Ecdysone
Formula
C27H44O6
Exact mass
464.3138
Mol weight
464.6347
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00981  Insect hormone biosynthesis
map04214  Apoptosis - fly
Enzyme
1.1.1.-         1.1.3.16        1.14.99.22      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
Target-based classification of compounds [BR:br08010]
 Nuclear receptors
  Thyroid hormone like receptors
   Liver X receptor like receptor
    ecdysone receptor
     C00477  Ecdysone
BRITE hierarchy
Other DBs
CAS: 3604-87-3
PubChem: 3760
ChEBI: 16688
ChEMBL: CHEMBL1456897 CHEMBL549300
LIPIDMAPS: LMST01010210
KNApSAcK: C00003651 C00048314
3DMET: B01257
NIKKAJI: J8.177I
LinkDB All DBs
KCF data Show

ATOM        33
            1   C2y C    20.9489  -17.6073
            2   C1z C    22.1395  -16.8496
            3   C1y C    19.7584  -16.9312
            4   C2x C    20.9252  -19.1859
            5   C1z C    22.1452  -15.5383
            6   C1x C    24.4678  -16.8907
            7   O1a O    22.1335  -18.2951
            8   C1z C    18.5794  -17.6189
            9   C1x C    19.7469  -15.5499
            10  C5x C    19.7700  -19.6588
            11  C1y C    23.3415  -14.8449
            12  C1x C    20.9432  -14.8564
            13  C1a C    22.1335  -14.1571
            14  C1x C    24.5320  -15.5499
            15  C1y C    18.5794  -18.9827
            16  C1x C    17.4005  -16.9485
            17  C1a C    18.5673  -16.2377
            18  O5x O    19.7463  -20.9245
            19  C1c C    23.3473  -13.5040
            20  C1x C    17.4005  -19.6647
            21  C1y C    16.2389  -17.6189
            22  C1c C    24.5146  -12.8337
            23  C1a C    22.1452  -12.5381
            24  C1y C    16.2389  -18.9827
            25  O1a O    15.0427  -16.9254
            26  C1b C    25.6821  -13.5156
            27  O1a O    24.5030  -11.4467
            28  O1a O    15.0368  -19.6647
            29  C1b C    26.8378  -12.8395
            30  C1d C    28.0052  -13.5215
            31  C1a C    29.1726  -12.8453
            32  C1a C    27.9994  -15.2105
            33  O1a O    29.1553  -14.1919
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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