KEGG   COMPOUND: C05478Help
Entry
C05478                      Compound                               

Name
3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione;
5beta-Pregnane-3alpha,21-diol-11,20-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        1.1.1.53        1.1.1.146       1.1.1.-
Other DBs
CAS: 
566-03-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1x C    13.9300  -21.2800
            2   C1y C    13.9300  -22.6800
            3   C1x C    15.1424  -23.3800
            4   C1y C    16.3549  -22.6800
            5   C1z C    16.3549  -21.2800
            6   C1x C    15.1424  -20.5800
            7   C1x C    17.5673  -23.3800
            8   C1x C    18.7797  -22.6800
            9   C1y C    18.7797  -21.2800
            10  C1y C    17.5673  -20.5800
            11  C1y C    19.9922  -20.5800
            12  C1z C    19.9922  -19.1800
            13  C1x C    18.7797  -18.4800
            14  C5x C    17.5673  -19.1800
            15  C1x C    22.4170  -20.5800
            16  C1x C    22.4170  -19.1800
            17  C1y C    21.2046  -18.4800
            18  O5x O    16.3569  -18.4812
            19  C1a C    16.3549  -19.8800
            20  O1a O    12.7176  -23.3800
            21  C1a C    19.9922  -17.7800
            22  C5a C    21.2046  -17.0800
            23  C1b C    22.4211  -16.3777
            24  O5a O    19.9962  -16.3823
            25  O1a O    23.6186  -17.0692
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   14  18 2
            22    5  19 1
            23    2  20 1 #Down
            24   12  21 1
            25   17  22 1
            26   22  23 1
            27   22  24 2
            28   23  25 1

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