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
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C15484  Isopregnanolone
Other DBs
CAS: 516-55-2
PubChem: 17396478
ChEBI: 11909
LIPIDMAPS: LMST02030173
NIKKAJI: J6.316I
LinkDB
KCF data

ATOM        23
            1   C1y C    19.4768  -16.9108
            2   C1y C    18.3095  -16.2480
            3   C1y C    20.6322  -16.2358
            4   C1x C    19.4768  -18.2362
            5   C1z C    17.1664  -16.9230
            6   C1x C    18.3095  -14.9103
            7   C1z C    20.6322  -14.8982
            8   C1x C    22.9550  -16.2358
            9   C1x C    18.3217  -18.9051
            10  C1y C    17.1664  -18.2485
            11  C1x C    16.0172  -16.2663
            12  C1a C    17.1664  -15.3846
            13  C1x C    19.4647  -14.2355
            14  C1y C    21.8056  -14.2293
            15  C1x C    22.9550  -14.9043
            16  C1x C    16.0172  -18.9173
            17  C1x C    14.8862  -16.9230
            18  C5a C    21.8056  -12.9159
            19  C1y C    14.8862  -18.2485
            20  C1a C    22.9428  -12.2715
            21  C1a C    20.6322  -13.4373
            22  O1a O    13.6109  -18.9762
            23  O5a O    20.5219  -12.1684
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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