KEGG   COMPOUND: C05475Help
Entry
C05475                      Compound                               

Name
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione;
5beta-Pregnane-11beta,21-diol-3,20-dione
Formula
C21H32O4
Exact mass
348.2301
Mol weight
348.4764
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
1.1.1.50        1.3.1.3
Other DBs
CAS: 
566-01-8
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1x C    14.4857  -17.1835
            2   C5x C    14.4857  -18.5527
            3   C1x C    15.6715  -19.2374
            4   C1y C    16.8574  -18.5527
            5   C1z C    16.8574  -17.1835
            6   C1x C    15.6715  -16.4988
            7   C1x C    18.0432  -19.2374
            8   C1x C    19.2290  -18.5527
            9   C1y C    19.2290  -17.1835
            10  C1y C    18.0432  -16.4988
            11  C1y C    20.4149  -16.4988
            12  C1z C    20.4149  -15.1295
            13  C1x C    19.2290  -14.4449
            14  C1y C    18.0432  -15.1295
            15  C1x C    22.7865  -16.4988
            16  C1x C    22.7865  -15.1295
            17  C1y C    21.6007  -14.4449
            18  C5a C    21.6007  -13.0756
            19  C1b C    22.7905  -12.3887
            20  O5a O    20.4188  -12.3932
            21  O1a O    23.9617  -13.0651
            22  C1a C    16.8574  -15.8142
            23  O5x O    13.2999  -19.2374
            24  O1a O    16.8594  -14.4461
            25  C1a C    20.4149  -13.7603
BOND        28
            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   17  18 1 #Up
            22   18  19 1
            23   18  20 2
            24   19  21 1
            25    5  22 1 #Up
            26    2  23 2
            27   14  24 1 #Up
            28   12  25 1 #Up

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