KEGG   COMPOUND: C05489Help
Entry
C05489                      Compound                               
Name
11beta,17alpha,21-Trihydroxypregnenolone
Formula
C21H32O5
Exact mass
364.225
Mol weight
364.4758
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
1.1.1.145       1.14.15.4       5.3.3.1
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1x C    13.7200  -25.7600
            2   C1y C    13.7200  -27.1600
            3   C1x C    14.9324  -27.8600
            4   C2y C    16.1449  -27.1600
            5   C1z C    16.1449  -25.7600
            6   C1x C    14.9324  -25.0600
            7   C2x C    17.3573  -27.8600
            8   C1x C    18.5697  -27.1600
            9   C1y C    18.5697  -25.7600
            10  C1y C    17.3573  -25.0600
            11  C1y C    19.7822  -25.0600
            12  C1z C    19.7822  -23.6600
            13  C1x C    18.5697  -22.9600
            14  C1y C    17.3573  -23.6600
            15  C1x C    22.2070  -25.0600
            16  C1x C    22.2070  -23.6600
            17  C1z C    20.9946  -22.9600
            18  C1a C    19.7822  -22.2600
            19  C1a C    16.1449  -24.3600
            20  O1a O    12.5076  -27.8600
            21  C5a C    20.9946  -21.5600
            22  O1a O    22.3469  -22.5977
            23  C1b C    22.2111  -20.8577
            24  O5a O    19.7862  -20.8623
            25  O1a O    23.4086  -21.5492
            26  O1a O    16.1469  -22.9612
BOND        29
            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   12  18 1
            22    5  19 1
            23    2  20 1
            24   17  21 1
            25   17  22 1 #Down
            26   21  23 1
            27   21  24 2
            28   23  25 1
            29   14  26 1

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