KEGG   COMPOUND: C05477Help
Entry
C05477                      Compound                               

Name
21-Hydroxy-5beta-pregnane-3,11,20-trione
Formula
C21H30O4
Exact mass
346.2144
Mol weight
346.4605
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1y C    25.8282  -21.2812
            2   C1y C    27.0151  -21.9652
            3   C1z C    24.6529  -21.9712
            4   C5x C    25.8165  -19.9130
            5   C1y C    28.2020  -21.2636
            6   C1x C    27.0210  -23.3334
            7   C1y C    24.6529  -23.3277
            8   C1x C    23.4836  -21.2987
            9   C1a C    24.6412  -20.6321
            10  C1x C    27.0034  -19.2171
            11  O5x O    24.6121  -19.2288
            12  C1z C    28.2080  -19.8954
            13  C1x C    30.5876  -21.2695
            14  C1x C    25.8341  -24.0000
            15  C1x C    23.4836  -24.0059
            16  C1x C    22.3201  -21.9712
            17  C1y C    29.3949  -19.2114
            18  C1a C    28.2020  -18.5506
            19  C1x C    30.5935  -19.9071
            20  C5x C    22.3201  -23.3277
            21  C5a C    29.4006  -17.8783
            22  O5x O    21.1566  -23.9883
            23  C1b C    30.5701  -17.2058
            24  O5a O    28.2431  -17.1941
            25  O1a O    31.7687  -17.9075
BOND        28
            1     1   2 1
            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     3   9 1 #Up
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    7  15 1
            15    8  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   13  19 1
            19   15  20 1
            20   17  21 1
            21   20  22 2
            22   21  23 1
            23   21  24 2
            24   23  25 1
            25    7  14 1
            26   10  12 1
            27   16  20 1
            28   17  19 1

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