KEGG   COMPOUND: C05484Help
Entry
C05484                      Compound                               

Name
Pregnanediol;
5beta-Pregnane-3alpha,20alpha-diol;
Pregnandiol;
Diol
Formula
C21H36O2
Exact mass
320.2715
Mol weight
320.5093
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Steroid hormone biosynthesis
Metabolic pathways
Enzyme
Other DBs
CAS: 
80-92-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C1x C    28.5600  -18.2000
            2   C1y C    28.5600  -19.6000
            3   C1x C    29.7500  -20.3000
            4   C1y C    30.9400  -19.6000
            5   C1z C    30.9400  -18.2000
            6   C1x C    29.7500  -17.5000
            7   C1x C    32.1300  -20.3000
            8   C1x C    33.2500  -19.6000
            9   C1y C    33.2500  -18.2000
            10  C1y C    32.1300  -17.5000
            11  C1y C    34.4400  -17.5000
            12  C1z C    34.4400  -16.1700
            13  C1x C    33.2500  -15.4700
            14  C1x C    32.1300  -16.1700
            15  C1x C    36.8200  -17.5000
            16  C1x C    36.8200  -16.1700
            17  C1y C    35.6300  -15.4700
            18  C1c C    35.6300  -14.1400
            19  C1a C    36.8200  -13.4400
            20  O1a O    34.4400  -13.4400
            21  C1a C    34.4400  -14.7700
            22  C1a C    30.9400  -16.8700
            23  O1a O    27.3700  -20.3000
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
            22   18  19 1
            23   18  20 1 #Up
            24   12  21 1 #Up
            25    5  22 1 #Up
            26    2  23 1 #Down

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