KEGG   COMPOUND: C08814Help
Entry
C08814                      Compound                               

Name
Brassinolide
Formula
C28H48O6
Exact mass
480.3451
Mol weight
480.6771
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00905  Brassinosteroid biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01062  Biosynthesis of terpenoids and steroids
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04075  Plant hormone signal transduction
Enzyme
1.14.-.-
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  28-Carbon atoms
   Campestane derivatives
    C08814  Brassinolide
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0114 Brassinolides and derivatives
    C08814  Brassinolide
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Ergostane
    C08814  Brassinolide
BRITE hierarchy
Other DBs
CAS: 72962-43-7
PubChem: 11007
ChEBI: 28277
KNApSAcK: C00000176
PDB-CCD: BLD[PDBj]
3DMET: B02433
NIKKAJI: J11.958J
LinkDB All DBs
KCF data Show

ATOM        34
            1   C1y C    27.8761  -18.3506
            2   C1y C    29.1016  -17.7029
            3   C1y C    26.7087  -17.6211
            4   C1x C    28.0220  -19.7222
            5   C1z C    29.1424  -16.3313
            6   C1x C    31.4770  -17.7204
            7   C1z C    25.4072  -18.0705
            8   C1x C    26.7555  -16.2438
            9   O7x O    27.0415  -20.7027
            10  C1y C    30.3622  -15.6893
            11  C1x C    27.9810  -15.5959
            12  C1a C    29.1307  -14.9598
            13  C1x C    31.5295  -16.4189
            14  C1y C    24.9404  -19.3604
            15  C1x C    24.5259  -17.0316
            16  C7x C    25.6699  -20.5392
            17  C1c C    30.3505  -14.3236
            18  C1x C    23.6038  -19.6171
            19  C1y C    23.1778  -17.2769
            20  O6a O    24.9345  -21.6948
            21  C1c C    31.5295  -13.6409
            22  C1a C    29.1600  -13.6409
            23  C1y C    22.7168  -18.5725
            24  O1a O    22.4834  -16.0862
            25  C1c C    32.7083  -14.3179
            26  O1a O    31.5236  -12.2752
            27  O1a O    21.3862  -18.9227
            28  C1c C    33.8931  -13.6349
            29  O1a O    32.7026  -15.8935
            30  C1c C    35.0721  -14.3119
            31  C1a C    33.8873  -12.2635
            32  C1a C    36.2569  -13.6292
            33  C1a C    35.0721  -15.6776
            34  C1a C    25.3993  -16.6691
BOND        37
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     4   9 1
            8     5  10 1
            9     5  11 1
            10    5  12 1 #Up
            11    6  13 1
            12    7  14 1
            13    7  15 1
            14    9  16 1
            15   10  17 1
            16   14  18 1
            17   15  19 1
            18   16  20 2
            19   17  21 1
            20   17  22 1 #Down
            21   18  23 1
            22   19  24 1 #Down
            23   21  25 1
            24   21  26 1 #Up
            25   23  27 1 #Down
            26   25  28 1
            27   25  29 1 #Up
            28   28  30 1
            29   28  31 1 #Up
            30   30  32 1
            31   30  33 1
            32    8  11 1
            33   10  13 1
            34   14  16 1
            35   19  23 1
            36    7  34 1 #Up
            37    1   2 1

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