KEGG   COMPOUND: C05483Help
Entry
C05483                      Compound                               

Name
3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-one
Formula
C21H34O4
Exact mass
350.2457
Mol weight
350.4923
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1x C    14.4858  -17.1836
            2   C1y C    14.4858  -18.5528
            3   C1x C    15.6716  -19.2375
            4   C1y C    16.8575  -18.5528
            5   C1z C    16.8575  -17.1836
            6   C1x C    15.6716  -16.4989
            7   C1x C    18.0433  -19.2375
            8   C1x C    19.2291  -18.5528
            9   C1y C    19.2291  -17.1836
            10  C1y C    18.0433  -16.4989
            11  C1y C    20.4150  -16.4989
            12  C1z C    20.4150  -15.1296
            13  C1x C    19.2291  -14.4450
            14  C5x C    18.0433  -15.1296
            15  C1x C    22.7866  -16.4989
            16  C1x C    22.7866  -15.1296
            17  C1y C    21.6008  -14.4450
            18  C1c C    21.6008  -13.0757
            19  C1b C    22.7906  -12.3888
            20  O1a O    20.4189  -12.3933
            21  O1a O    23.9618  -13.0652
            22  C1a C    16.8575  -15.8143
            23  O1a O    13.3000  -19.2375
            24  O5x O    16.8595  -14.4462
            25  C1a C    20.4150  -13.7604
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 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   17  18 1
            22   18  19 1
            23   18  20 1 #Up
            24   19  21 1
            25    5  22 1 #Up
            26    2  23 1 #Down
            27   14  24 2
            28   12  25 1 #Up

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