KEGG   COMPOUND: C04042Help
Entry
C04042                      Compound                               

Name
20alpha-Hydroxy-4-pregnen-3-one;
20alpha-Hydroxypregn-4-en-3-one;
20alpha-Hydroxyprogesterone;
(S)-20-Hydroxypregn-4-en-3-one
Formula
C21H32O2
Exact mass
316.2402
Mol weight
316.4776
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
Other DBs
CAS: 
145-14-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C1y C    26.4199  -16.6959
            2   C1y C    27.5954  -17.3757
            3   C1z C    25.2501  -17.3817
            4   C1x C    26.4076  -15.3366
            5   C1y C    28.7774  -16.6836
            6   C1x C    27.6016  -18.7350
            7   C2y C    25.2501  -18.7288
            8   C1x C    24.0807  -16.7203
            9   C1x C    27.5894  -14.6445
            10  C1z C    28.7835  -15.3242
            11  C1x C    31.1410  -16.6259
            12  C1x C    26.4259  -19.4086
            13  C2x C    24.0807  -19.4086
            14  C1x C    22.9295  -17.3817
            15  C1y C    29.9652  -14.6384
            16  C1x C    31.1410  -15.3302
            17  C5x C    22.9295  -18.7288
            18  C1c C    29.9714  -13.3097
            19  O5x O    21.7721  -19.3902
            20  C1a C    28.8202  -12.6360
            21  O1a O    31.1225  -12.6483
            22  C1a C    28.7835  -13.9242
            23  C1a C    25.2501  -15.9817
BOND        26
            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    6  12 1
            12    7  13 2
            13    8  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 1
            17   15  18 1
            18   17  19 2
            19   18  20 1
            20   18  21 1 #Down
            21    7  12 1
            22    9  10 1
            23   14  17 1
            24   15  16 1
            25   10  22 1 #Up
            26    3  23 1 #Up

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