KEGG   COMPOUND: C15520
Entry
C15520                      Compound                               

Name
Cholest-5-ene-3beta,7alpha,25-triol;
7alpha,25-Dihydroxycholesterol;
5-Cholesten-3beta,7alpha,25-triol;
3beta,7alpha,25-Trihydroxycholest-5-ene
Formula
C27H46O3
Exact mass
418.3447
Mol weight
418.6523
Structure
Reaction
Pathway
map00120  Primary bile acid biosynthesis
Enzyme
1.1.1.181       1.14.14.29
Other DBs
PubChem: 17396512
ChEBI: 37623
LIPIDMAPS: LMST04030166
NIKKAJI: J652.922D
KCF data

ATOM        30
            1   C1y C    29.2235  -23.5712
            2   C1y C    28.0500  -24.2485
            3   C1z C    29.2235  -22.2167
            4   C1x C    31.5708  -23.5712
            5   C1y C    26.8821  -23.5712
            6   C1y C    28.0441  -25.6031
            7   C1y C    30.4089  -21.5393
            8   C1x C    28.0500  -21.5393
            9   C1a C    29.2176  -20.8621
            10  C1x C    31.5708  -22.2167
            11  C1z C    25.6968  -24.2485
            12  C1x C    26.8821  -22.2167
            13  C2x C    26.8821  -26.2803
            14  C1c C    30.4089  -20.1846
            15  C2y C    25.6968  -25.6031
            16  C1x C    24.5290  -23.5712
            17  C1a C    25.6851  -22.8938
            18  C1b C    31.6059  -19.4956
            19  C1a C    29.2059  -19.4898
            20  C1x C    24.5290  -26.2803
            21  C1x C    23.3555  -24.2485
            22  C1b C    32.8030  -20.1904
            23  C1y C    23.3555  -25.6031
            24  C1b C    33.9999  -19.4956
            25  O1a O    22.1703  -26.2803
            26  C1d C    35.2026  -20.1904
            27  C1a C    36.3996  -19.5013
            28  C1a C    35.1968  -21.5744
            29  O1a O    36.4145  -20.8901
            30  O1a O    29.2719  -26.3122
BOND        33
            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 #Up
            23   24  26 1
            24   26  27 1
            25   26  28 1
            26    7  10 1
            27    8  12 1
            28   13  15 2
            29   21  23 1
            30    1   2 1
            31    1   3 1
            32   26  29 1
            33    6  30 1 #Down

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