KEGG   COMPOUND: C05446Help
Entry
C05446                      Compound                               

Name
3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane;
5beta-Cholestane-3alpha,7alpha,12alpha,26-tetraol;
5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol
Formula
C27H48O4
Exact mass
436.3553
Mol weight
436.6676
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Primary bile acid biosynthesis
Metabolic pathways
Module
M00104  
Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C05446  3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane
BRITE hierarchy
Other DBs
CAS: 
862-53-3
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C1y C    25.8498  -21.1759
            2   C1y C    24.6836  -21.8489
            3   C1z C    25.8498  -19.8300
            4   C1x C    28.1819  -21.1759
            5   C1y C    23.5233  -21.1759
            6   C1y C    24.6778  -23.1948
            7   C1y C    27.0273  -19.1570
            8   C1y C    24.6836  -19.1570
            9   C1a C    25.8472  -18.4146
            10  C1x C    28.1819  -19.8300
            11  C1z C    22.3456  -21.8489
            12  C1x C    23.5233  -19.8300
            13  C1x C    23.5233  -23.8678
            14  C1c C    27.0273  -17.2512
            15  C1y C    22.3456  -23.1948
            16  C1x C    21.1855  -21.1759
            17  C1a C    22.3340  -20.5031
            18  C1b C    28.2166  -16.5666
            19  C1x C    21.1855  -23.8678
            20  C1x C    20.0194  -21.8489
            21  C1b C    29.4060  -17.2569
            22  C1y C    20.0194  -23.1948
            23  C1b C    30.5952  -16.5666
            24  O1a O    18.8417  -23.8678
            25  C1c C    31.7902  -17.2569
            26  C1b C    32.9795  -16.5723
            27  C1a C    31.7842  -18.6319
            28  O1a O    25.8796  -23.8889
            29  O1a O    24.7442  -17.7692
            30  O1a O    34.1805  -17.2678
            31  C1a C    25.7963  -16.5398
BOND        34
            1     2   5 1
            2     2   6 1
            3     3   7 1
            4     3   8 1
            5     3   9 1 #Up
            6     4  10 1
            7     5  11 1
            8     5  12 1
            9     6  13 1
            10    7  14 1
            11   11  15 1
            12   11  16 1
            13   11  17 1 #Up
            14   14  18 1
            15   15  19 1
            16   16  20 1
            17   18  21 1
            18   19  22 1
            19   21  23 1
            20   22  24 1 #Down
            21   23  25 1
            22   25  26 1
            23   25  27 1
            24    7  10 1
            25    8  12 1
            26   13  15 1
            27   20  22 1
            28    1   2 1
            29    6  28 1 #Down
            30    1   3 1
            31    8  29 1 #Down
            32    1   4 1
            33   26  30 1
            34   14  31 1 #Down

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