KEGG   COMPOUND: C17336
Entry
C17336                      Compound                               

Name
7alpha,26-Dihydroxy-4-cholesten-3-one
Formula
C27H44O3
Exact mass
416.329
Mol weight
416.6365
Structure
Reaction
Pathway
map00120  Primary bile acid biosynthesis
Enzyme
Other DBs
CAS: 4675-38-1
PubChem: 96023697
ChEBI: 48825
NIKKAJI: J676.106B
KCF data

ATOM        30
            1   C5x C    22.7775  -25.7698
            2   C2x C    23.8223  -26.4664
            3   C2y C    25.0761  -25.7698
            4   C1z C    25.0761  -24.3768
            5   C1x C    23.8223  -23.6802
            6   C1x C    22.7775  -24.3768
            7   C1x C    26.2602  -26.4664
            8   C1y C    27.4443  -25.7698
            9   C1y C    27.4443  -24.3768
            10  C1y C    26.2602  -23.6802
            11  C1y C    28.6284  -23.6802
            12  C1z C    28.6284  -22.3568
            13  C1x C    27.4443  -21.7299
            14  C1x C    26.2602  -22.3568
            15  C1x C    30.9966  -23.6802
            16  C1x C    30.9966  -22.3568
            17  C1y C    29.8125  -21.7299
            18  C1a C    28.6981  -20.8244
            19  C1c C    29.8125  -20.3368
            20  C1b C    30.9966  -19.6403
            21  C1a C    25.0761  -23.0533
            22  C1b C    32.1808  -20.3368
            23  C1b C    33.3649  -19.6403
            24  C1c C    34.5490  -20.3368
            25  C1a C    28.8374  -19.3617
            26  C1b C    35.7331  -19.6403
            27  C1a C    34.5490  -21.7299
            28  O1a O    28.6284  -26.4664
            29  O5x O    21.5493  -26.4272
            30  O1a O    36.9452  -20.3270
BOND        33
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    4  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1
            23   19  20 1
            24    4  21 1 #Up
            25   20  22 1
            26   22  23 1
            27   23  24 1
            28   19  25 1 #Down
            29   24  26 1
            30   24  27 1
            31    8  28 1 #Down
            32    1  29 2
            33   26  30 1

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