KEGG   COMPOUND: C21116
Entry
C21116                      Compound                               
Name
Hydroxysqualene;
12-Hydroxysqualene
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.72
Structure
Reaction
R11401 R11410
Enzyme
1.17.8.1        4.2.3.156
Other DBs
PubChem: 312642085
LinkDB
KCF data

ATOM        31
            1   C2c C     5.8926  -16.5466
            2   C2b C     7.1064  -15.8458
            3   C1b C     8.3202  -16.5466
            4   C1b C     9.5340  -15.8458
            5   C2c C    10.7477  -16.5466
            6   C2b C    11.9616  -15.8458
            7   C1b C    13.1754  -16.5466
            8   C1b C    14.3891  -15.8458
            9   C2c C    15.6030  -16.5466
            10  C2b C    16.8167  -15.8458
            11  C1c C    18.0306  -16.5466
            12  C1b C    19.2443  -15.8458
            13  C2b C    20.4581  -16.5466
            14  C2c C    21.6720  -15.8458
            15  C1b C    22.8857  -16.5466
            16  C1b C    24.0995  -15.8458
            17  C2b C    25.3133  -16.5466
            18  C2c C    26.5271  -15.8458
            19  C1b C    27.7408  -16.5466
            20  C1b C    28.9547  -15.8458
            21  C2b C    30.1685  -16.5466
            22  C1a C     4.6789  -15.8458
            23  C1a C     5.8926  -17.9481
            24  C2c C    31.3605  -15.8581
            25  C1a C    32.5470  -16.5429
            26  C1a C    31.3606  -14.4445
            27  C1a C    10.7477  -17.9480
            28  C1a C    15.6030  -17.9478
            29  C1a C    21.6720  -14.4442
            30  C1a C    26.5271  -14.4446
            31  O1a O    18.0312  -17.9197
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21    1  22 1
            22    1  23 1
            23   21  24 2
            24   24  25 1
            25   24  26 1
            26    5  27 1
            27    9  28 1
            28   14  29 1
            29   18  30 1
            30   11  31 1

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