KEGG   COMPOUND: C03594Help
Entry
C03594                      Compound                               

Name
7alpha-Hydroxycholesterol;
Cholest-5-ene-3beta,7alpha-diol
Formula
C27H46O2
Exact mass
402.3498
Mol weight
402.6529
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Primary bile acid biosynthesis
Metabolic pathways
Module
M00104  
Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
Enzyme
1.1.1.181       1.14.14.23
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C03594  7alpha-Hydroxycholesterol
BRITE hierarchy
Other DBs
CAS: 
566-26-7
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
PDB-CCD: 
3DMET: 
KCF data Show

ATOM        29
            1   C1y C    26.4980  -21.3885
            2   C1y C    25.3589  -22.0963
            3   C1z C    26.5044  -19.9915
            4   C1x C    28.9161  -21.4008
            5   C1y C    24.0863  -21.4008
            6   C1y C    25.3404  -23.4682
            7   C1y C    27.7134  -19.2961
            8   C1x C    25.2829  -19.3024
            9   C1a C    26.5627  -18.6133
            10  C1x C    28.9161  -20.0040
            11  C1z C    22.8898  -22.1025
            12  C1x C    24.0737  -20.0102
            13  C2x C    24.1627  -24.1698
            14  O1a O    26.5180  -24.1508
            15  C1c C    27.7196  -17.9305
            16  C2y C    22.8898  -23.4807
            17  C1x C    21.6934  -21.4197
            18  C1a C    22.8352  -20.8434
            19  C1b C    28.8972  -17.2540
            20  C1a C    26.4719  -17.1076
            21  C1x C    21.6934  -24.1759
            22  C1x C    20.5157  -22.1025
            23  C1b C    30.0750  -17.9430
            24  C1y C    20.5157  -23.4807
            25  O1a O    19.3319  -24.1571
            26  C1b C    31.2885  -17.2518
            27  C1c C    32.4604  -17.9374
            28  C1a C    33.6614  -17.2531
            29  C1a C    32.4523  -19.3264
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    6  14 1 #Down
            14    7  15 1
            15   11  16 1
            16   11  17 1
            17   11  18 1 #Up
            18   15  19 1
            19   15  20 1 #Down
            20   16  21 1
            21   17  22 1
            22   19  23 1
            23   21  24 1
            24   24  25 1 #Up
            25    7  10 1
            26    8  12 1
            27   13  16 2
            28   22  24 1
            29   23  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 1

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