KEGG   COMPOUND: C05469Help
Entry
C05469                      Compound                               

Name
17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione;
5beta-Pregnane-17alpha,21-diol-3,11,20-trione;
4,5beta-Dihydrocortisone
Formula
C21H30O5
Exact mass
362.2093
Mol weight
362.4599
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
1.1.1.50        1.3.1.3
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives
    C05469  4,5beta-Dihydrocortisone
BRITE hierarchy
Other DBs
CAS: 
68-54-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1x C    13.4400  -26.8100
            2   C5x C    13.4400  -28.2100
            3   C1x C    14.6524  -28.9100
            4   C1y C    15.8649  -28.2100
            5   C1z C    15.8649  -26.8100
            6   C1x C    14.6524  -26.1100
            7   C1x C    17.0773  -28.9100
            8   C1x C    18.2897  -28.2100
            9   C1y C    18.2897  -26.8100
            10  C1y C    17.0773  -26.1100
            11  C1y C    19.5022  -26.1100
            12  C1z C    19.5022  -24.7100
            13  C1x C    18.2897  -24.0100
            14  C5x C    17.0773  -24.7100
            15  C1x C    21.9270  -26.1100
            16  C1x C    21.9270  -24.7100
            17  C1z C    20.7146  -24.0100
            18  C1a C    15.8649  -25.4100
            19  C5a C    20.7146  -22.6100
            20  C1b C    21.9311  -21.9077
            21  O5a O    19.5062  -21.9123
            22  O1a O    23.1286  -22.5992
            23  O1a O    22.0669  -23.6477
            24  O5x O    12.2276  -28.9100
            25  O5x O    15.8669  -24.0112
            26  C1a C    19.5022  -23.3100
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   17  19 1 #Up
            23   19  20 1
            24   19  21 2
            25   20  22 1
            26   17  23 1 #Down
            27    2  24 2
            28   14  25 2
            29   12  26 1 #Up

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