KEGG   COMPOUND: C04108
Entry
C04108                      Compound                               
Name
20-Hydroxy-3-oxopregn-4-en-21-al
Formula
C21H30O3
Exact mass
330.2195
Mol weight
330.4611
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C04108  20-Hydroxy-3-oxopregn-4-en-21-al
Other DBs
PubChem: 6798
ChEBI: 15690
LIPIDMAPS: LMST02030181
NIKKAJI: J2.746.332K
LinkDB
KCF data

ATOM        24
            1   C1y C    30.2502  -21.0723
            2   C1y C    29.0613  -21.7624
            3   C1z C    30.2564  -19.6986
            4   C1x C    32.5891  -21.0723
            5   C1y C    27.8784  -21.0846
            6   C1x C    29.0736  -23.1301
            7   C1y C    31.4455  -19.0085
            8   C1x C    29.0550  -19.0210
            9   C1a C    30.2133  -18.2531
            10  C1x C    32.6345  -19.7046
            11  C1z C    26.7078  -21.7748
            12  C1x C    27.8661  -19.7109
            13  C1x C    27.8907  -23.8078
            14  C1c C    31.4208  -17.5793
            15  C2y C    26.7078  -23.1301
            16  C1x C    25.5311  -21.1032
            17  C1a C    26.6709  -20.4872
            18  C4a C    30.2502  -16.6181
            19  O1a O    32.6282  -17.0001
            20  C2x C    25.5311  -23.8138
            21  C1x C    24.3729  -21.7748
            22  C5x C    24.3729  -23.1301
            23  O5x O    23.2086  -23.7891
            24  O4a O    28.9404  -17.1106
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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1
            19   15  20 2
            20   16  21 1
            21   20  22 1
            22   22  23 2
            23    7  10 1
            24    8  12 1
            25   13  15 1
            26   21  22 1
            27   18  24 2

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