KEGG   COMPOUND: C04518Help
Entry
C04518                      Compound                               

Name
17alpha,20alpha-Dihydroxypregn-4-en-3-one
Formula
C21H32O3
Exact mass
332.2351
Mol weight
332.477
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
Other DBs
CAS: 
652-69-7
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1y C    19.0729  -18.6321
            2   C1y C    20.3346  -17.9342
            3   C1y C    17.8172  -17.9466
            4   C1x C    19.0542  -20.0400
            5   C1z C    20.2709  -16.5634
            6   C1x C    22.6480  -17.9466
            7   C1z C    16.7139  -18.6383
            8   C1x C    17.8749  -16.5758
            9   C1x C    17.8996  -20.6821
            10  C1z C    21.4626  -15.8719
            11  C1x C    19.0666  -15.8781
            12  C1a C    20.0526  -15.1989
            13  C1x C    22.6543  -16.5697
            14  C2y C    16.7139  -19.9968
            15  C1x C    15.5346  -17.9652
            16  C1a C    16.4237  -17.1316
            17  C1c C    21.4687  -14.5320
            18  O1a O    22.8026  -15.8719
            19  C2x C    15.5346  -20.6821
            20  C1x C    14.3675  -18.6383
            21  C1a C    20.3077  -13.8526
            22  O1a O    22.6357  -13.8650
            23  C5x C    14.3675  -19.9968
            24  O5x O    13.2066  -20.6637
BOND        27
            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     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1 #Up
            17   10  18 1 #Down
            18   14  19 2
            19   15  20 1
            20   17  21 1
            21   17  22 1 #Down
            22   19  23 1
            23   23  24 2
            24    8  11 1
            25    9  14 1
            26   10  13 1
            27   20  23 1

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