KEGG   COMPOUND: C22117
Entry
C22117                      Compound                               
Name
4alpha-(Hydroxymethyl)ergosta-7,24(24(1))-dien-3beta-ol
Formula
C29H48O2
Exact mass
428.3654
Mol weight
428.6902
Structure
Reaction
Enzyme
Other DBs
PubChem: 405226309
LinkDB
KCF data

ATOM        31
            1   C1x C    12.6892  -17.1766
            2   C1y C    12.6892  -18.5787
            3   C1y C    13.8811  -19.2798
            4   C1x C    13.8811  -16.4755
            5   C1z C    15.0729  -17.1766
            6   C1y C    15.0729  -18.5787
            7   C1x C    16.1946  -19.2798
            8   C2x C    17.4566  -18.5787
            9   C1y C    16.2647  -16.5456
            10  C2y C    17.4566  -17.1766
            11  C1x C    17.4566  -14.4424
            12  C1x C    16.2647  -15.1435
            13  C1z C    18.5783  -15.1435
            14  C1y C    18.5783  -16.5456
            15  C1x C    20.9619  -16.5456
            16  C1x C    20.9619  -15.2136
            17  C1y C    19.8402  -14.5125
            18  C1c C    19.8402  -13.1103
            19  C1b C    21.0320  -12.4093
            20  C1b C    22.2238  -13.1103
            21  C2c C    23.4156  -12.4093
            22  C1c C    24.5373  -13.1103
            23  C1a C    25.7290  -12.4093
            24  C1a C    24.5373  -14.5125
            25  C2a C    23.4156  -11.0773
            26  O1a O    11.4975  -19.2798
            27  C1a C    15.0729  -15.8445
            28  C1a C    18.5082  -13.8114
            29  C1a C    18.6484  -12.4093
            30  C1b C    13.8811  -20.6118
            31  O1a O    15.0936  -21.3118
BOND        34
            1     5   6 1
            2     6   7 1
            3     7   8 1
            4    13  14 1
            5    15  16 1
            6    16  17 1
            7    17  13 1
            8    14  15 1
            9     8  10 2
            10   17  18 1
            11    9   5 1
            12   18  19 1
            13    5   4 1
            14   19  20 1
            15    4   1 1
            16   20  21 1
            17   21  22 1
            18    1   2 1
            19   22  23 1
            20    9  10 1
            21   22  24 1
            22   10  14 1
            23   21  25 2
            24   13  11 1
            25    2  26 1 #Up
            26   11  12 1
            27    5  27 1 #Up
            28   12   9 1
            29   13  28 1 #Up
            30    2   3 1
            31   18  29 1 #Down
            32    3   6 1
            33    3  30 1 #Down
            34   30  31 1

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