KEGG   COMPOUND: C17332
Entry
C17332                      Compound                               

Name
7alpha,25-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
PubChem: 96023694
ChEBI: 81013
NIKKAJI: J674.519I
KCF data

ATOM        30
            1   C5x C    23.4119  -25.8475
            2   C2x C    24.5236  -26.5423
            3   C2y C    25.7047  -25.8475
            4   C1z C    25.7047  -24.5273
            5   C1x C    24.5236  -23.8325
            6   C1x C    23.4119  -24.5273
            7   C1x C    26.8859  -26.5423
            8   C1y C    28.0670  -25.8475
            9   C1y C    28.0670  -24.5273
            10  C1y C    26.8859  -23.8325
            11  C1y C    29.2482  -23.8325
            12  C1z C    29.2482  -22.4429
            13  C1x C    28.0670  -21.8176
            14  C1x C    26.8859  -22.4429
            15  C1x C    31.6104  -23.8325
            16  C1x C    31.6104  -22.4429
            17  C1y C    30.4293  -21.8176
            18  O1a O    29.2482  -26.5423
            19  C1a C    29.3176  -20.9144
            20  C1c C    30.4293  -20.4280
            21  C1a C    25.7047  -23.1377
            22  C1b C    31.6446  -19.7405
            23  C1b C    32.8486  -20.4356
            24  C1b C    34.0524  -19.7405
            25  C1a C    29.7298  -19.2165
            26  C1d C    35.2734  -20.4456
            27  C1a C    36.4829  -19.7474
            28  O1a O    35.2732  -21.8281
            29  C1a C    36.4853  -21.1452
            30  O5x O    22.1709  -26.5358
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    8  18 1 #Down
            22   12  19 1 #Up
            23   17  20 1
            24    4  21 1 #Up
            25   20  22 1
            26   22  23 1
            27   23  24 1
            28   20  25 1 #Down
            29   24  26 1
            30   26  27 1
            31   26  28 1
            32   26  29 1
            33    1  30 2

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