KEGG   COMPOUND: C22119
Entry
C22119                      Compound                               

Name
3beta-Hydroxyergosta-7,24(24(1))-dien-4alpha-carboxylate
Formula
C29H46O3
Exact mass
442.3447
Mol weight
442.6737
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: 405226311
KCF data

ATOM        32
            1   C1x C    12.6618  -17.1389
            2   C1y C    12.6618  -18.5381
            3   C1y C    13.8510  -19.2376
            4   C1x C    13.8510  -16.4394
            5   C1z C    15.0403  -17.1389
            6   C1y C    15.0403  -18.5381
            7   C1x C    16.1596  -19.2376
            8   C2x C    17.4187  -18.5381
            9   C1y C    16.2295  -16.5093
            10  C2y C    17.4187  -17.1389
            11  C1x C    17.4187  -14.4107
            12  C1x C    16.2295  -15.1103
            13  C1z C    18.5381  -15.1103
            14  C1y C    18.5381  -16.5093
            15  C1x C    20.9165  -16.5093
            16  C1x C    20.9165  -15.1802
            17  C1y C    19.7972  -14.4807
            18  C1c C    19.7972  -13.0815
            19  C1b C    20.9864  -12.3820
            20  C1b C    22.1756  -13.0815
            21  C2c C    23.4349  -12.3820
            22  C1c C    24.5541  -13.0815
            23  C1a C    25.7433  -12.3820
            24  C1a C    24.5541  -14.4807
            25  C2a C    23.4349  -11.0529
            26  O1a O    11.4726  -19.2376
            27  C1a C    15.0403  -15.8098
            28  C1a C    18.4681  -13.7811
            29  C1a C    18.6080  -12.3820
            30  C6a C    13.8510  -20.5667
            31  O6a O    15.1103  -21.2662
            32  O6a O    12.6454  -21.2761
BOND        35
            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 2
            35   30  32 1

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