KEGG   COMPOUND: C22120
Entry
C22120                      Compound                               

Name
4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol
Formula
C30H48O3
Exact mass
456.3603
Mol weight
456.7003
Structure
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00917  Phytosterol biosynthesis, squalene 2,3-epoxide => campesterol/sitosterol
Enzyme
1.1.1.418       1.14.18.11
Other DBs
PubChem: 405226312
KCF data

ATOM        33
            1   C1x C    12.7144  -17.5332
            2   C1y C    12.7144  -18.8605
            3   C1y C    13.9021  -19.5591
            4   C1x C    13.9021  -16.8345
            5   C1z C    15.0896  -17.5332
            6   C1y C    15.0896  -18.8605
            7   C1x C    16.2772  -19.5591
            8   C2x C    17.4649  -18.9303
            9   C1y C    16.2772  -16.8345
            10  C2y C    17.4649  -17.5332
            11  C1x C    17.4649  -14.8087
            12  C1x C    16.2772  -15.4374
            13  C1z C    18.6524  -15.5072
            14  C1y C    18.6523  -16.9045
            15  C1x C    21.0277  -16.9045
            16  C1x C    21.0277  -15.5072
            17  C1y C    19.8400  -14.8087
            18  C1c C    19.8400  -13.4814
            19  C1b C    21.0277  -12.7828
            20  C1b C    22.2152  -13.4814
            21  C2c C    23.4028  -12.7828
            22  C1c C    24.5905  -13.4114
            23  C1a C    25.7780  -12.7828
            24  C1a C    24.5905  -14.8087
            25  C2b C    23.4028  -11.3857
            26  C1a C    24.5905  -10.6870
            27  O1a O    11.5268  -19.5591
            28  C1a C    15.0896  -16.1360
            29  C1a C    18.6524  -14.1101
            30  C1a C    18.6524  -12.7828
            31  C6a C    13.9021  -20.9579
            32  O6a O    15.1134  -21.6573
            33  O6a O    12.6906  -21.6573
BOND        36
            1     6   7 1
            2     7   8 1
            3    15  16 1
            4    16  17 1
            5    17  13 1
            6    14  15 1
            7     8  10 2
            8    17  18 1
            9     9   5 1
            10   18  19 1
            11    5   4 1
            12   19  20 1
            13    4   1 1
            14   20  21 1
            15   21  22 1
            16    1   2 1
            17   22  23 1
            18    9  10 1
            19   22  24 1
            20   10  14 1
            21   21  25 2
            22   13  11 1
            23   25  26 1
            24   11  12 1
            25   12   9 1
            26    2  27 1 #Up
            27    2   3 1
            28    5  28 1 #Up
            29    3   6 1
            30   13  29 1 #Up
            31    5   6 1
            32   18  30 1 #Down
            33    3  31 1 #Down
            34   31  32 2
            35   31  33 1
            36   14  13 1

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