KEGG   COMPOUND: C05502Help
Entry
C05502                      Compound                               

Name
22(R)-Hydroxycholesterol;
(22R)-22-Hydroxycholesterol;
22beta-Hydroxycholesterol
Formula
C27H46O2
Exact mass
402.3498
Mol weight
402.6529
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Oxysterol
Target: liver X receptor (LXR) agonist [HSA:7376 10062] [KO:K08535 K08536]
Reaction
Pathway
Steroid hormone biosynthesis
Metabolic pathways
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C05502  22beta-Hydroxycholesterol
BRITE hierarchy
Other DBs
CAS: 
17954-98-2
PubChem: 
LIPIDMAPS: 
LipidBank: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C1y C    27.6104  -24.8784
            2   C1y C    26.4397  -25.5539
            3   C1z C    27.6104  -23.5271
            4   C1x C    29.9516  -24.8784
            5   C1y C    25.2748  -24.8784
            6   C1x C    26.4338  -26.9052
            7   C1y C    28.7927  -22.8516
            8   C1x C    26.4397  -22.8516
            9   C1a C    27.6045  -22.1759
            10  C1x C    29.9516  -23.5271
            11  C1z C    24.0925  -25.5539
            12  C1x C    25.2748  -23.5271
            13  C2x C    25.2748  -27.5808
            14  C1c C    28.7927  -21.5003
            15  C2y C    24.0925  -26.9052
            16  C1x C    22.9278  -24.8784
            17  C1a C    24.0808  -24.2028
            18  C1c C    29.9866  -20.8130
            19  C1a C    27.5928  -20.8073
            20  C1x C    22.9278  -27.5808
            21  C1x C    21.7571  -25.5539
            22  C1b C    31.1806  -21.5060
            23  C1y C    21.7571  -26.9052
            24  C1b C    32.3745  -20.8130
            25  O1a O    20.5748  -27.5808
            26  C1c C    33.5743  -21.5060
            27  C1a C    34.7683  -20.8188
            28  C1a C    33.5685  -23.0959
            29  O1a O    29.9896  -19.3903
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   26  27 1
            27   26  28 1
            28    7  10 1
            29    8  12 1
            30   13  15 2
            31   21  23 1
            32   18  29 1 #Down

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