KEGG   COMPOUND: C05451
Entry
C05451                      Compound                               
Name
7alpha-Hydroxy-5beta-cholestan-3-one;
5beta-Cholestan-7alpha-ol-3-one
Formula
C27H46O2
Exact mass
402.3498
Mol weight
402.6529
Structure
Reaction
R04817 R04818 R04819
Pathway
map00120  Primary bile acid biosynthesis
map01100  Metabolic pathways
Module
M00104  Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
Enzyme
1.1.1.50        1.3.1.3
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C05451  7alpha-Hydroxy-5beta-cholestan-3-one
Other DBs
PubChem: 7813
ChEBI: 2290
LIPIDMAPS: LMST04030112
3DMET: B05031
NIKKAJI: J2.755.945J
LinkDB
KCF data

ATOM        29
            1   C1y C    26.1360  -22.2142
            2   C1y C    24.9240  -22.8934
            3   C1z C    26.0835  -20.8090
            4   C1y C    23.7238  -22.1850
            5   C1y C    24.9240  -24.2927
            6   C1x C    24.9475  -20.1007
            7   C1z C    22.4359  -22.8817
            8   C1x C    23.7356  -20.7915
            9   C1x C    23.7121  -24.9894
            10  O1a O    25.6150  -25.4988
            11  C1y C    22.5001  -24.2810
            12  C1x C    21.2942  -22.1850
            13  C1a C    22.4942  -21.4824
            14  C1x C    21.2942  -24.9836
            15  C1x C    20.0822  -22.8817
            16  C5x C    20.0822  -24.2810
            17  C1a C    26.0835  -19.4087
            18  O5x O    18.8712  -24.9788
            19  C1x C    28.4892  -22.1937
            20  C1x C    28.5067  -20.7185
            21  C1y C    27.2689  -20.0643
            22  C1c C    27.2689  -18.6643
            23  C1b C    28.5124  -17.9900
            24  C1b C    29.7249  -18.6900
            25  C1b C    30.9373  -17.9900
            26  C1c C    32.1497  -18.6900
            27  C1a C    33.3473  -17.9985
            28  C1a C    32.1498  -20.0899
            29  C1a C    26.1001  -17.9686
BOND        32
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Down
            10    7  11 1
            11    7  12 1
            12    7  13 1 #Up
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16    6   8 1
            17    9  11 1
            18   15  16 1
            19    3  17 1 #Up
            20   16  18 2
            21    1  19 1
            22   19  20 1
            23   20  21 1
            24    3  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 1
            32   22  29 1 #Down

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