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   C1y C    20.4168  -16.8724
            2   C1y C    19.2336  -17.5543
            3   C1z C    20.4168  -15.5085
            4   C1x C    22.7832  -16.8724
            5   C1y C    18.0504  -16.8724
            6   C1x C    19.2220  -18.9240
            7   C1z C    21.6060  -14.8208
            8   C1x C    19.2336  -14.8208
            9   C1a C    20.4111  -14.1387
            10  C1x C    22.7832  -15.5085
            11  C1z C    16.8616  -17.5543
            12  C1y C    18.0504  -15.5085
            13  C2x C    18.0504  -19.6059
            14  C5a C    21.6117  -13.4568
            15  C2y C    16.8616  -18.9240
            16  C1x C    15.6841  -16.8724
            17  C1a C    16.8499  -16.1903
            18  O1a O    16.8616  -14.8208
            19  C1b C    22.7892  -12.7749
            20  O5a O    20.4228  -12.7749
            21  C1x C    15.6841  -19.6059
            22  C1x C    14.4951  -17.5543
            23  O1a O    23.9781  -13.4626
            24  C1y C    14.4951  -18.9240
            25  O1a O    13.3119  -19.6059
            26  O1a O    22.9580  -14.4584
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1 #Up
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   12  18 1 #Up
            18   14  19 1
            19   14  20 2
            20   15  21 1
            21   16  22 1
            22   19  23 1
            23   21  24 1
            24   24  25 1 #Up
            25    7  10 1
            26    8  12 1
            27   13  15 2
            28   22  24 1
            29    7  26 1 #Down

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