KEGG   COMPOUND: C15796Help
Entry
C15796                      Compound                               

Name
22alpha-Hydroxy-campest-4-en-3-one;
(22S,24R)-22-Hydroxy-ergost-4 en-3-one
Formula
C28H46O2
Exact mass
414.3498
Mol weight
414.6636
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00905  Brassinosteroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00371  Castasterone biosynthesis, campesterol => castasterone
Enzyme
1.3.1.22        1.14.13.-       1.14.14.147
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0103 Ergosterols and C24-methyl derivatives
    C15796  22alpha-Hydroxy-campest-4-en-3-one
BRITE hierarchy
Other DBs
PubChem: 47205121
ChEBI: 72330
NIKKAJI: J1.831.609I
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1x C    25.8929  -23.6435
            2   C5x C    25.8929  -25.0162
            3   C2x C    27.0816  -25.7026
            4   C2y C    28.2705  -25.0162
            5   C1z C    28.2705  -23.6435
            6   C1x C    27.0816  -22.9571
            7   C1x C    29.4592  -25.7026
            8   C1x C    30.6478  -25.0162
            9   C1y C    30.6478  -23.6435
            10  C1y C    29.4592  -22.9571
            11  C1y C    31.8367  -22.9571
            12  C1z C    31.8367  -21.5845
            13  C1x C    30.6478  -20.8982
            14  C1x C    29.4592  -21.5845
            15  C1x C    34.2144  -22.9571
            16  C1x C    34.2144  -21.5845
            17  C1y C    33.0255  -20.8982
            18  C1c C    33.0255  -19.5255
            19  C1c C    34.2183  -18.8369
            20  C1b C    35.3923  -19.5150
            21  C1c C    36.5554  -18.8433
            22  C1c C    37.7240  -19.5184
            23  C1a C    37.7240  -20.8979
            24  C1a C    28.2705  -22.2708
            25  C1a C    31.8367  -20.2122
            26  C1a C    31.8367  -18.8391
            27  C1a C    38.9126  -18.8319
            28  O1a O    34.2184  -17.4343
            29  O5x O    24.6970  -25.7064
            30  C1a C    36.5554  -17.4433
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32    2  29 2
            33   21  30 1 #Up

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