KEGG   COMPOUND: C22111
Entry
C22111                      Compound                               

Name
3beta-Hydroxysteroid-4alpha-carboxylate
Formula
C20H32O3
Exact mass
320.2351
Mol weight
320.4663
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
1.1.1.170       1.1.1.418
Other DBs
PubChem: 405226303
KCF data

ATOM        23
            1   C1x C    18.6304  -14.1340
            2   C1y C    18.6304  -15.4981
            3   C1y C    19.7899  -16.1801
            4   C1y C    21.0176  -15.4981
            5   C1z C    21.0176  -14.1340
            6   C1x C    19.7899  -13.4520
            7   C1z C    17.4710  -16.1801
            8   C1y C    17.4710  -17.5442
            9   C1x C    18.6304  -18.2262
            10  C1x C    19.7899  -17.5442
            11  C1x C    16.2434  -15.4981
            12  C1x C    15.0840  -16.1801
            13  C1y C    15.0840  -17.5442
            14  C1y C    16.2434  -18.2262
            15  C1a C    21.0176  -12.7699
            16  C1a C    17.4710  -14.8161
            17  O1a O    13.9244  -18.2262
            18  C6a C    16.2434  -19.5846
            19  O6a O    15.0670  -20.2637
            20  O6a O    17.4197  -20.2637
            21  C1x C    23.3724  -15.4981
            22  C1x C    23.3724  -14.1340
            23  C1x C    22.1950  -13.4542
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    3  10 1
            12    7  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    8  14 1
            17    5  15 1
            18    7  16 1
            19   13  17 1 #Up
            20   14  18 1 #Down
            21   18  19 2
            22   18  20 1
            23    4  21 1
            24   21  22 1
            25   22  23 1
            26    5  23 1

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