KEGG   COMPOUND: C05452Help
Entry
C05452                      Compound                               

Name
3alpha,7alpha-Dihydroxy-5beta-cholestane;
5beta-Cholestane-3alpha,7alpha-diol
Formula
C27H48O2
Exact mass
404.3654
Mol weight
404.6688
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Primary bile acid biosynthesis
Metabolic pathways
Module
M00104  
Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
Enzyme
1.1.1.50        1.14.13.96      1.14.15.15
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C05452  3alpha,7alpha-Dihydroxy-5beta-cholestane
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C1y C    22.8398  -20.0409
            2   C1y C    21.6630  -20.7200
            3   C1z C    22.8398  -18.6826
            4   C1x C    25.1935  -20.0409
            5   C1y C    20.4919  -20.0409
            6   C1y C    21.6570  -22.0784
            7   C1y C    24.0284  -18.0034
            8   C1x C    21.6630  -18.0034
            9   C1a C    22.8339  -17.4646
            10  C1x C    25.1935  -18.6826
            11  C1z C    19.3034  -20.7200
            12  C1x C    20.4919  -18.6826
            13  C1x C    20.4919  -22.7575
            14  C1c C    24.0284  -16.6450
            15  C1y C    19.3034  -22.0784
            16  C1x C    18.1325  -20.0409
            17  C1a C    19.2917  -19.3617
            18  C1b C    25.2286  -15.9542
            19  C1a C    23.3834  -15.3871
            20  C1x C    18.1325  -22.7575
            21  C1x C    16.9557  -20.7200
            22  C1b C    26.4289  -16.6508
            23  C1y C    16.9557  -22.0784
            24  C1b C    27.6291  -15.9542
            25  O1a O    15.7672  -22.7575
            26  C1c C    28.8352  -16.6508
            27  C1a C    30.0354  -15.9599
            28  C1a C    28.8294  -18.0385
            29  O1a O    22.8703  -22.7787
BOND        32
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 1
            6     3   9 1 #Up
            7     4  10 1
            8     5  11 1
            9     5  12 1
            10    6  13 1
            11    7  14 1
            12   11  15 1
            13   11  16 1
            14   11  17 1 #Up
            15   14  18 1
            16   14  19 1 #Down
            17   15  20 1
            18   16  21 1
            19   18  22 1
            20   20  23 1
            21   22  24 1
            22   23  25 1 #Down
            23   24  26 1
            24   26  27 1
            25   26  28 1
            26    7  10 1
            27    8  12 1
            28   13  15 1
            29   21  23 1
            30    1   2 1
            31    6  29 1 #Down
            32    1   3 1

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