KEGG   COMPOUND: C15518
Entry
C15518                      Compound                               
Name
(24S)-Cholest-5-ene-3beta,7alpha,24-triol;
5-Cholesten-3beta,7alpha,24(S)-triol
Formula
C27H46O3
Exact mass
418.3447
Mol weight
418.6523
Structure
Reaction
R07208 R08721
Pathway
map00120  Primary bile acid biosynthesis
Enzyme
1.1.1.181       1.14.14.26
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C15518  (24S)-Cholest-5-ene-3beta,7alpha,24-triol
Other DBs
PubChem: 17396510
ChEBI: 37640
LIPIDMAPS: LMST04030168
NIKKAJI: J1.343.556A
LinkDB
KCF data

ATOM        30
            1   C1y C    28.7316  -21.6600
            2   C1y C    27.5177  -22.3604
            3   C1z C    28.7316  -20.3060
            4   C1x C    31.0664  -21.6600
            5   C1y C    26.3503  -21.6600
            6   C1y C    27.5177  -23.7146
            7   C1y C    29.8990  -19.6523
            8   C1x C    27.5177  -19.6523
            9   C1a C    28.6850  -18.9519
            10  C1x C    31.0664  -20.3060
            11  C1z C    25.1831  -22.3604
            12  C1x C    26.3503  -20.3060
            13  C2x C    26.3503  -24.3682
            14  C1c C    29.8990  -18.2981
            15  C2y C    25.1831  -23.7146
            16  C1x C    24.0158  -21.6600
            17  C1a C    25.1831  -21.0063
            18  C1b C    31.1130  -17.5977
            19  C1a C    28.6850  -17.5977
            20  C1x C    24.0158  -24.3682
            21  C1x C    22.8484  -22.3604
            22  C1b C    32.2803  -18.2981
            23  C1y C    22.8484  -23.7146
            24  C1c C    33.4943  -17.5977
            25  O1a O    21.6345  -24.3682
            26  C1c C    34.7084  -18.2981
            27  C1a C    35.8757  -17.5977
            28  C1a C    34.7084  -19.6523
            29  O1a O    33.4943  -16.1969
            30  O1a O    28.7264  -24.4231
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    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   26  27 1
            27   26  28 1
            28    7  10 1
            29    8  12 1
            30   13  15 2
            31   21  23 1
            32   24  29 1 #Down
            33    6  30 1 #Down

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