KEGG   COMPOUND: C05473Help
Entry
C05473                      Compound                               

Name
11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al
Formula
C21H30O5
Exact mass
362.2093
Mol weight
362.4599
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
1.1.1.50        1.3.1.3
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1x C    14.4884  -17.2122
            2   C5x C    14.4884  -18.5824
            3   C1x C    15.6751  -19.2675
            4   C1y C    16.8618  -18.5824
            5   C1z C    16.8618  -17.2122
            6   C1x C    15.6751  -16.5272
            7   C1x C    18.0484  -19.2675
            8   C1x C    19.2350  -18.5824
            9   C1y C    19.2350  -17.2122
            10  C1y C    18.0484  -16.5272
            11  C1y C    20.4217  -16.5272
            12  C1z C    20.4217  -15.1570
            13  C1x C    19.2350  -14.4718
            14  C1y C    18.0484  -15.1570
            15  C1x C    22.7948  -16.5272
            16  C1x C    22.7948  -15.1570
            17  C1y C    21.6082  -14.4718
            18  C5a C    21.6082  -13.1016
            19  C4a C    20.4217  -13.7867
            20  C1a C    16.8618  -15.8421
            21  O1a O    16.8638  -14.4729
            22  O5x O    13.3019  -19.2675
            23  C1b C    22.7988  -12.4142
            24  O5a O    20.4256  -12.4187
            25  O1a O    23.9708  -13.0910
            26  O4a O    19.2351  -13.1016
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 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 #Up
            22   12  19 1 #Up
            23    5  20 1 #Up
            24   14  21 1 #Up
            25    2  22 2
            26   18  23 1
            27   18  24 2
            28   23  25 1
            29   19  26 2

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