KEGG   COMPOUND: C22119Help
Entry
C22119                      Compound                               

Name
3beta-Hydroxyergosta-7,24(24(1))-dien-4alpha-carboxylate
Formula
C29H46O3
Exact mass
442.3447
Mol weight
442.6737
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.418       1.14.18.11
KCF data Show

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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