KEGG   COMPOUND: C15484
Entry
C15484                      Compound                               

Name
Isopregnanolone;
Epiallopregnanolone;
3beta-Hydroxy-5alpha-pregnan-20-one
Formula
C21H34O2
Exact mass
318.2559
Mol weight
318.4935
Structure
Reaction
Enzyme
Other DBs
CAS: 516-55-2
PubChem: 17396478
ChEBI: 11909
ChEMBL: CHEMBL2057301 CHEMBL3137816
NIKKAJI: J6.316I
LinkDB
KCF data

ATOM        23
            1   C1y C    28.9970  -21.6406
            2   C1y C    27.8783  -21.0054
            3   C1y C    30.1043  -20.9937
            4   C1x C    28.9737  -22.9109
            5   C1z C    26.7828  -21.6523
            6   C1x C    27.8724  -19.7234
            7   C1z C    30.1043  -19.7118
            8   C1x C    32.3304  -20.9996
            9   C1x C    27.8900  -23.5519
            10  C1y C    26.7828  -22.9226
            11  C1x C    25.6815  -21.0230
            12  C1a C    26.8352  -20.1780
            13  C1x C    28.9854  -19.0767
            14  C1y C    31.2289  -19.0708
            15  C1x C    32.3361  -19.7177
            16  C1x C    25.6815  -23.5636
            17  C1x C    24.5976  -21.6523
            18  C5a C    31.2289  -17.8121
            19  C1y C    24.5976  -22.9226
            20  C1a C    32.3187  -17.1945
            21  C1a C    30.1043  -18.3118
            22  O1a O    23.3754  -23.6200
            23  O5a O    29.9986  -17.0957
BOND        26
            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     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   19  22 1 #Up
            26   18  23 2

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