KEGG   COMPOUND: C21304
Entry
C21304                      Compound                               

Name
(25S)-26-Oxocholest-4-en-3-one
Formula
C27H42O2
Exact mass
398.3185
Mol weight
398.6212
Structure
Reaction
Enzyme
Other DBs
PubChem: 318172283
LinkDB
KCF data

ATOM        29
            1   C1y C    17.9632  -16.8582
            2   C1y C    16.7892  -17.5357
            3   C1z C    17.9632  -15.5031
            4   C1x C    20.3112  -16.8582
            5   C1y C    15.6209  -16.8582
            6   C1x C    16.7833  -18.8907
            7   C1y C    19.1489  -14.8255
            8   C1x C    16.7892  -14.8255
            9   C1a C    17.9573  -14.1480
            10  C1x C    20.3112  -15.5031
            11  C1z C    14.4353  -17.5357
            12  C1x C    15.6209  -15.5031
            13  C1x C    15.6209  -19.5682
            14  C1c C    19.1489  -13.4703
            15  C2y C    14.4353  -18.8907
            16  C1x C    13.2671  -16.8582
            17  C1a C    14.4236  -16.1806
            18  C1b C    20.3463  -12.7811
            19  C1a C    17.9456  -12.7753
            20  C2x C    13.2671  -19.5682
            21  C1x C    12.0932  -17.5357
            22  C1b C    21.5438  -13.4761
            23  C5x C    12.0932  -18.8907
            24  C1b C    22.7411  -12.7811
            25  O5x O    10.9076  -19.5682
            26  C1c C    23.9442  -13.4761
            27  C4a C    25.1415  -12.7868
            28  C1a C    23.9384  -14.8606
            29  O4a O    26.3535  -13.4886
BOND        32
            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 2
            18   16  21 1
            19   18  22 1
            20   20  23 1
            21   22  24 1
            22   23  25 2
            23   24  26 1
            24   26  27 1
            25   26  28 1 #Up
            26    7  10 1
            27    8  12 1
            28   13  15 1
            29   21  23 1
            30    1   2 1
            31    1   3 1
            32   27  29 2

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