KEGG   DRUG: Androstenediol
Entry
D00179                      Drug                                   
Name
Androstenediol (JAN);
Tetrabol (TN)
Formula
C19H30O2
Exact mass
290.2246
Mol weight
290.4403
Structure
Simcomp
Remark
Same as: C04295
Efficacy
Prohormone
Other DBs
CAS: 521-17-5
PubChem: 7847247
ChEBI: 2710
PDB-CCD: B81[PDBj]
LigandBox: D00179
NIKKAJI: J6.611G
KCF data

ATOM        21
            1   C1x C    14.4143  -18.2557
            2   C1y C    14.4143  -19.6270
            3   C1x C    15.6017  -20.3125
            4   C2y C    16.7893  -19.6270
            5   C1z C    16.7893  -18.2557
            6   C1x C    15.6017  -17.5701
            7   C2x C    17.9768  -20.3125
            8   C1x C    19.1644  -19.6270
            9   C1y C    19.1644  -18.2557
            10  C1y C    17.9768  -17.5701
            11  C1y C    20.3519  -17.5701
            12  C1z C    20.3519  -16.1989
            13  C1x C    19.1644  -15.5133
            14  C1x C    17.9768  -16.1989
            15  C1x C    22.7269  -17.5701
            16  C1x C    22.7269  -16.1989
            17  C1y C    21.5393  -15.5133
            18  C1a C    16.7910  -16.8845
            19  C1a C    20.3563  -14.8277
            20  O1a O    21.5442  -14.1421
            21  O1a O    13.2059  -20.3249
BOND        24
            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 2
            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    5  18 1 #Up
            22   12  19 1 #Up
            23   17  20 1 #Up
            24    2  21 1 #Up

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