KEGG   COMPOUND: C22112
Entry
C22112                      Compound                               

Name
4alpha-Carboxy-5alpha-cholesta-8,24-dien-3beta-ol
Formula
C28H44O3
Exact mass
428.329
Mol weight
428.6472
Structure
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00101  Cholesterol biosynthesis, squalene 2,3-epoxide => cholesterol
M00102  Ergocalciferol biosynthesis, squalene 2,3-epoxide => ergosterol/ergocalciferol
Enzyme
1.1.1.170       1.14.18.9
Other DBs
PubChem: 405226304
KCF data

ATOM        31
            1   C2y C    17.4696  -16.4130
            2   C2y C    16.2721  -15.7791
            3   C1y C    18.6671  -15.7791
            4   C1x C    17.4696  -17.7514
            5   C1z C    15.0747  -16.4130
            6   C1x C    16.2721  -14.3703
            7   C1z C    18.6671  -14.3703
            8   C1x C    21.0621  -15.7791
            9   C1x C    16.3426  -18.4558
            10  C1y C    15.0747  -17.7514
            11  C1x C    13.8772  -15.7791
            12  C1a C    15.0747  -15.1451
            13  C1x C    17.4696  -13.6659
            14  C1y C    19.8646  -13.6659
            15  C1a C    18.6671  -12.9615
            16  C1x C    21.0621  -14.3703
            17  C1y C    13.8772  -18.4558
            18  C1x C    12.7501  -16.4130
            19  C1c C    19.8646  -12.2571
            20  C1y C    12.7501  -17.7514
            21  C1b C    21.0621  -11.6231
            22  C1a C    18.6671  -11.6231
            23  O1a O    11.5526  -18.4558
            24  C1b C    22.2596  -12.3275
            25  C2b C    23.4571  -11.6231
            26  C2c C    24.5841  -12.3275
            27  C1a C    25.7816  -11.6231
            28  C1a C    24.5841  -13.6659
            29  C6a C    13.8772  -19.8646
            30  O6a O    15.0747  -20.5690
            31  O6a O    12.6797  -20.7803
BOND        34
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   14  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 1 #Up
            23   21  24 1
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   26  28 1
            28    7  13 1
            29    9  10 1
            30   14  16 1
            31   18  20 1
            32   17  29 1 #Down
            33   29  30 2
            34   29  31 1

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