KEGG   COMPOUND: C00891
Entry
C00891                      Compound                               

Name
Pregnan-21-al
Formula
C21H34O
Exact mass
302.261
Mol weight
302.4941
Structure
Reaction
Enzyme
1.1.1.150       1.1.1.151
Other DBs
PubChem: 4147
ChEBI: 17934
LIPIDMAPS: LMST02030162
NIKKAJI: J2.730.991G
LinkDB
KCF data

ATOM        22
            1   C1y C    27.9991  -21.1598
            2   C1y C    29.1829  -20.4666
            3   C1y C    26.8214  -20.4789
            4   C1x C    28.0114  -22.5215
            5   C1z C    29.1891  -19.0987
            6   C1x C    31.5505  -20.4089
            7   C1z C    25.6559  -21.1658
            8   C1x C    26.8090  -19.1172
            9   C1x C    26.8336  -23.1901
            10  C1y C    30.3729  -18.4179
            11  C1x C    27.9928  -18.4240
            12  C1a C    29.1605  -17.6307
            13  C1x C    31.5567  -19.1109
            14  C1y C    25.6559  -22.5152
            15  C1x C    24.4843  -20.4974
            16  C1a C    25.5987  -19.7101
            17  C1b C    30.3790  -17.0868
            18  C1x C    24.4843  -23.1962
            19  C1x C    23.3251  -21.1658
            20  C4a C    31.5382  -16.4182
            21  C1x C    23.3251  -22.5152
            22  O4a O    32.7881  -17.1401
BOND        25
            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   14  18 1
            18   15  19 1
            19   17  20 1
            20   18  21 1
            21    8  11 1
            22    9  14 1
            23   10  13 1
            24   19  21 1
            25   20  22 2

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