KEGG   COMPOUND: C16549
Entry
C16549                      Compound                               

Name
alpha-Hydroxy-N-desmethyltamoxifen
Formula
C25H27NO2
Exact mass
373.2042
Mol weight
373.4874
Structure
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.14.13.-
Other DBs
PubChem: 51090878
ChEBI: 80557
NIKKAJI: J573.431B
KCF data

ATOM        28
            1   C8x C    26.7405  -21.0002
            2   C8y C    26.7405  -22.4003
            3   C8x C    25.5505  -23.1002
            4   C8x C    24.2905  -22.4003
            5   C8y C    24.2905  -21.0002
            6   C8x C    25.5505  -20.3002
            7   C8x C    21.8405  -22.4003
            8   C8y C    21.8405  -21.0002
            9   C2c C    23.1004  -20.3002
            10  C8x C    20.6505  -23.1002
            11  C8x C    19.4604  -22.4003
            12  C8x C    19.4604  -21.0002
            13  C8x C    20.6505  -20.3002
            14  C2c C    23.1004  -18.9002
            15  C1c C    21.8405  -18.2002
            16  C8y C    24.2905  -18.2002
            17  O2a O    27.9305  -23.1002
            18  C1b C    29.1205  -22.4003
            19  C1b C    30.3805  -23.1002
            20  C8x C    24.2905  -16.8001
            21  C8x C    25.4805  -16.1001
            22  C8x C    26.7405  -16.8001
            23  C8x C    26.7405  -18.2002
            24  C8x C    25.4805  -18.9002
            25  N1b N    31.5705  -22.4003
            26  C1a C    32.7606  -23.1002
            27  C1a C    20.6505  -18.9002
            28  O1a O    21.8233  -16.7998
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 2
            16   14  15 1
            17   14  16 1
            18    2  17 1
            19   17  18 1
            20   18  19 1
            21   16  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   16  24 1
            27   19  25 1
            28   25  26 1
            29   15  27 1
            30   15  28 1

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