KEGG   COMPOUND: C15796
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
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
Other DBs
PubChem: 47205121
ChEBI: 72330
NIKKAJI: J1.831.609I
LinkDB
KCF data

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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