KEGG   COMPOUND: C16260
Entry
C16260                      Compound                               

Name
Scymnol;
5beta-Scymnol;
5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol
Formula
C27H48O6
Exact mass
468.3451
Mol weight
468.6664
Structure
Reaction
Enzyme
Other DBs
CAS: 6785-34-8
PubChem: 47205568
ChEBI: 50106
LIPIDMAPS: LMST04030173
LipidBank: BBA0353 SST9026
NIKKAJI: J8.438G
KCF data

ATOM        33
            1   C1x C    20.7855  -22.9496
            2   C1y C    20.7855  -24.3117
            3   C1x C    21.9650  -24.9928
            4   C1y C    23.1447  -24.3117
            5   C1z C    23.1447  -22.9496
            6   C1x C    21.9650  -22.2686
            7   C1x C    24.3243  -24.9928
            8   C1y C    25.5038  -24.3117
            9   C1y C    25.5038  -22.9496
            10  C1y C    24.3243  -22.2686
            11  C1y C    26.6835  -22.2686
            12  C1z C    26.6835  -20.9065
            13  C1y C    25.5038  -20.2255
            14  C1x C    24.3243  -20.9065
            15  C1x C    29.0427  -22.2686
            16  C1x C    29.0427  -20.9065
            17  C1y C    27.8631  -20.2255
            18  O1a O    19.6059  -24.9928
            19  O1a O    26.6690  -24.9845
            20  O1a O    24.8228  -18.7954
            21  C1a C    23.1447  -21.5876
            22  C1c C    27.8631  -18.8634
            23  C1a C    26.5512  -17.5717
            24  C1b C    29.0466  -18.1800
            25  C1b C    30.2117  -18.8529
            26  C1c C    31.3659  -18.1865
            27  C1c C    32.5254  -18.8562
            28  C1b C    33.6824  -18.1882
            29  O1a O    31.3661  -16.8205
            30  C1a C    26.6835  -19.5444
            31  C1b C    32.5254  -20.2252
            32  O1a O    33.6855  -20.8952
            33  O1a O    34.8405  -18.8570
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  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    2  18 1 #Down
            22    8  19 1 #Down
            23   13  20 1 #Down
            24    5  21 1 #Up
            25   17  22 1
            26   22  23 1 #Down
            27   22  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   26  29 1 #Up
            33   12  30 1 #Up
            34   27  31 1
            35   31  32 1
            36   28  33 1

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