KEGG   COMPOUND: C05444
Entry
C05444                      Compound                               
Name
3alpha,7alpha,26-Trihydroxy-5beta-cholestane;
5beta-Cholestane-3alpha,7alpha,26-triol
Formula
C27H48O3
Exact mass
420.3603
Mol weight
420.67
Structure
Reaction
R04805 R04806 R08758
Pathway
map00120  Primary bile acid biosynthesis
map01100  Metabolic pathways
Module
M00104  Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
Enzyme
1.1.1.1         1.14.15.15
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C05444  3alpha,7alpha,26-Trihydroxy-5beta-cholestane
Other DBs
PubChem: 7806
ChEBI: 171981 28540
LIPIDMAPS: LMST04030020
NIKKAJI: J676.110K
LinkDB
KCF data

ATOM        30
            1   C1y C    29.2905  -26.7944
            2   C1y C    28.0182  -27.4751
            3   C1z C    29.2343  -25.3970
            4   C1x C    30.5454  -27.2391
            5   C1y C    26.8158  -26.7717
            6   C1y C    28.0182  -28.8725
            7   C1y C    30.5683  -24.9794
            8   C1x C    28.0364  -24.6937
            9   C1a C    29.1597  -23.9950
            10  C1x C    31.3804  -26.1184
            11  C1z C    25.6043  -27.4659
            12  C1x C    26.8249  -25.3788
            13  C1x C    26.8067  -29.5667
            14  O1a O    29.0703  -30.0106
            15  C1y C    25.5998  -28.8635
            16  C1x C    24.3930  -26.7672
            17  C1a C    25.6656  -26.0684
            18  C1x C    24.3930  -29.5667
            19  C1x C    23.1816  -27.4659
            20  C1y C    23.1816  -28.8635
            21  O1a O    22.4783  -30.0703
            22  C1c C    30.9055  -23.6539
            23  C1b C    32.2588  -23.2913
            24  C1b C    32.6214  -21.9380
            25  C1b C    33.9748  -21.5754
            26  C1c C    34.3373  -20.2221
            27  C1b C    35.6906  -19.8595
            28  O1a O    36.0418  -18.5463
            29  C1a C    33.3517  -19.2366
            30  C1a C    29.9135  -22.6746
BOND        33
            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   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   15  18 1
            18   16  19 1
            19   18  20 1
            20   20  21 1 #Down
            21    7  10 1 #Up
            22    8  12 1
            23   13  15 1
            24   19  20 1
            25    7  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   26  29 1
            33   22  30 1 #Down

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