KEGG   COMPOUND: C05471Help
Entry
C05471                      Compound                               

Name
11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione;
5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione
Formula
C21H32O5
Exact mass
364.225
Mol weight
364.4758
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
1.1.1.50        1.3.1.3
Other DBs
CAS: 
1482-50-4
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1x C    12.9500  -25.9000
            2   C5x C    12.9500  -27.3000
            3   C1x C    14.1624  -28.0000
            4   C1y C    15.3749  -27.3000
            5   C1z C    15.3749  -25.9000
            6   C1x C    14.1624  -25.2000
            7   C1x C    16.5873  -28.0000
            8   C1x C    17.7997  -27.3000
            9   C1y C    17.7997  -25.9000
            10  C1y C    16.5873  -25.2000
            11  C1y C    19.0122  -25.2000
            12  C1z C    19.0122  -23.8000
            13  C1x C    17.7997  -23.1000
            14  C1y C    16.5873  -23.8000
            15  C1x C    21.4370  -25.2000
            16  C1x C    21.4370  -23.8000
            17  C1z C    20.2246  -23.1000
            18  C1a C    15.3749  -24.5000
            19  C1a C    19.0122  -22.4000
            20  C5a C    20.2246  -21.7000
            21  C1b C    21.4411  -20.9977
            22  O5a O    19.0162  -21.0023
            23  O1a O    22.6386  -21.6892
            24  O1a O    21.5769  -22.7377
            25  O1a O    15.3769  -23.1012
            26  O5x O    11.7376  -28.0000
BOND        29
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    5  18 1 #Up
            22   12  19 1 #Up
            23   17  20 1 #Up
            24   20  21 1
            25   20  22 2
            26   21  23 1
            27   17  24 1 #Down
            28   14  25 1 #Up
            29    2  26 2

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