KEGG   COMPOUND: C05487Help
Entry
C05487                      Compound                               

Name
17alpha,21-Dihydroxypregnenolone
Formula
C21H32O4
Exact mass
348.2301
Mol weight
348.4764
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
1.1.1.145       1.14.14.16      1.14.15.4       5.3.3.1
Other DBs
CAS: 
1167-48-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1x C    12.0400  -25.9700
            2   C1y C    12.0400  -27.3700
            3   C1x C    13.2524  -28.0700
            4   C2y C    14.4649  -27.3700
            5   C1z C    14.4649  -25.9700
            6   C1x C    13.2524  -25.2700
            7   C2x C    15.6773  -28.0700
            8   C1x C    16.8897  -27.3700
            9   C1y C    16.8897  -25.9700
            10  C1y C    15.6773  -25.2700
            11  C1y C    18.1022  -25.2700
            12  C1z C    18.1022  -23.8700
            13  C1x C    16.8897  -23.1700
            14  C1x C    15.6773  -23.8700
            15  C1x C    20.5270  -25.2700
            16  C1x C    20.5270  -23.8700
            17  C1z C    19.3146  -23.1700
            18  C1a C    14.4649  -24.5702
            19  O1a O    10.8276  -28.0700
            20  C1a C    18.1022  -22.4703
            21  C5a C    19.3146  -21.7700
            22  C1b C    20.5311  -21.0677
            23  O5a O    18.1062  -21.0723
            24  O1a O    21.7286  -21.7592
            25  O1a O    20.6669  -22.8077
BOND        28
            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    2  19 1 #Up
            23   12  20 1 #Up
            24   17  21 1 #Up
            25   21  22 1
            26   21  23 2
            27   22  24 1
            28   17  25 1 #Down

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