KEGG   DRUG: Androstenedione
Entry
D00051                      Drug                                   
Name
Androstenedione (JAN)
Formula
C19H26O2
Exact mass
286.1933
Mol weight
286.4085
Structure
Simcomp
Remark
Same as: C00280
Efficacy
Prohormone
Other DBs
CAS: 63-05-8
PubChem: 7847119
ChEBI: 16422
PDB-CCD: ASD[PDBj]
LigandBox: D00051
NIKKAJI: J38.388K
KCF data

ATOM        21
            1   C1x C     6.8600  -12.0400
            2   C5x C     6.8600  -13.4400
            3   C2x C     8.0724  -14.1400
            4   C2y C     9.2849  -13.4400
            5   C1z C     9.2849  -12.0400
            6   C1x C     8.0724  -11.3400
            7   C1x C    10.4973  -14.1400
            8   C1x C    11.7097  -13.4400
            9   C1y C    11.7097  -12.0400
            10  C1y C    10.4973  -11.3400
            11  C1y C    12.9222  -11.3400
            12  C1z C    12.9222   -9.9400
            13  C1x C    11.7097   -9.2400
            14  C1x C    10.4973   -9.9400
            15  C1x C    15.3470  -11.3400
            16  C1x C    15.3470   -9.9400
            17  C5x C    14.1346   -9.2400
            18  O5x O     5.6476  -14.1400
            19  O5x O    14.1346   -7.8400
            20  C1a C     9.2849  -10.6400
            21  C1a C    12.9222   -8.5400
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 2
            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    2  18 2
            22   17  19 2
            23    5  20 1 #Up
            24   12  21 1 #Up

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Drug (1)   
   LigandBox (1)   
Chemical substance (8)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (9)   

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