KEGG   COMPOUND: C05480Help
Entry
C05480                      Compound                               

Name
Pregnanolone;
3alpha-Hydroxy-5beta-pregnan-20-one
Formula
C21H34O2
Exact mass
318.2559
Mol weight
318.4935
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Metabolic pathways
Enzyme
1.1.1.50        1.1.1.53
Other DBs
CAS: 
128-20-1
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C1x C    15.0931  -17.1947
            2   C1y C    15.0931  -18.5613
            3   C1x C    16.2767  -19.2447
            4   C1y C    17.4603  -18.5613
            5   C1z C    17.4603  -17.1947
            6   C1x C    16.2767  -16.5114
            7   C1x C    18.6438  -19.2447
            8   C1x C    19.8273  -18.5613
            9   C1y C    19.8273  -17.1947
            10  C1y C    18.6438  -16.5114
            11  C1y C    21.0109  -16.5114
            12  C1z C    21.0109  -15.1447
            13  C1x C    19.8273  -14.4614
            14  C1x C    18.6438  -15.1447
            15  C1x C    23.3780  -16.5114
            16  C1x C    23.3780  -15.1447
            17  C1y C    22.1945  -14.4614
            18  C5a C    22.1945  -13.0947
            19  C1a C    21.0109  -13.7780
            20  C1a C    17.4603  -15.8280
            21  O1a O    13.9096  -19.2447
            22  C1a C    23.3820  -12.4091
            23  O5a O    21.0148  -12.4136
BOND        26
            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   17  18 1 #Up
            22   12  19 1 #Up
            23    5  20 1 #Up
            24    2  21 1 #Down
            25   18  22 1
            26   18  23 2

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