KEGG   COMPOUND: C05424
Entry
C05424                      Compound                               
Name
5alpha-Cholestan-5alpha,6beta-diol
Formula
C27H48O2
Exact mass
404.3654
Mol weight
404.6688
Structure
Reaction
Enzyme
3.3.2.-
Other DBs
PubChem: 7788
NIKKAJI: J2.755.871B
LinkDB
KCF data

ATOM        29
            1   C1y C    19.7402  -16.1582
            2   C1y C    20.9242  -16.8407
            3   C1z C    18.5505  -16.8407
            4   C1x C    19.7402  -14.7934
            5   C1y C    22.1082  -16.1582
            6   C1x C    20.9126  -18.2112
            7   C1z C    18.5505  -18.2112
            8   C1x C    17.3722  -16.1582
            9   C1a C    18.5388  -15.4759
            10  C1x C    20.9242  -14.1051
            11  C1z C    22.1082  -14.7934
            12  C1x C    24.4762  -16.1582
            13  C1y C    19.7402  -18.8937
            14  C1x C    17.3722  -18.8937
            15  O1a O    18.5155  -19.5119
            16  C1x C    16.1825  -16.8407
            17  C1y C    23.2981  -14.1051
            18  C1a C    22.1025  -13.4228
            19  C1x C    24.4762  -14.7934
            20  O1a O    19.7402  -20.2876
            21  C1x C    16.1825  -18.2112
            22  C1c C    23.2981  -12.7405
            23  C1b C    24.5112  -12.0464
            24  C1a C    22.0908  -12.0406
            25  C1b C    25.7185  -12.7405
            26  C1b C    26.9259  -12.0464
            27  C1c C    28.1332  -12.7463
            28  C1a C    29.3463  -12.0523
            29  C1a C    28.1332  -14.1402
BOND        32
            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    7  15 1 #Down
            15    8  16 1
            16   11  17 1
            17   11  18 1 #Up
            18   12  19 1
            19   13  20 1 #Up
            20   14  21 1
            21   17  22 1
            22   22  23 1
            23   22  24 1 #Down
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   27  29 1
            29    7  13 1
            30   10  11 1
            31   16  21 1
            32   17  19 1

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