KEGG   COMPOUND: C05011Help
Entry
C05011                      Compound                               

Name
Hydroxytamoxifen;
4-Hydroxytamoxifen
Formula
C26H29NO2
Exact mass
387.2198
Mol weight
387.514
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.14.13.-       1.14.14.1       1.14.14.-
Other DBs
CAS: 68047-06-3
PubChem: 7494
ChEBI: 44616
ChEMBL: CHEMBL489
PDB-CCD: OHT[PDBj]
NIKKAJI: J370.403C
KCF data Show

ATOM        29
            1   C2c C    23.9953  -21.2720
            2   C2c C    23.9953  -19.8726
            3   C8y C    25.1848  -21.9717
            4   C8y C    22.7359  -22.0417
            5   C8y C    25.1848  -19.1729
            6   C1b C    22.7359  -19.2429
            7   C8x C    25.1848  -23.3711
            8   C8x C    26.3743  -21.2720
            9   C8x C    22.7358  -23.4411
            10  C8x C    21.5464  -21.3420
            11  C8x C    25.1848  -17.7736
            12  C8x C    26.3743  -19.8726
            13  C1a C    21.5464  -19.9426
            14  C8x C    26.4442  -24.0708
            15  C8x C    27.6337  -21.9717
            16  C8x C    21.6164  -24.1408
            17  C8x C    20.3569  -22.0417
            18  C8x C    26.3743  -17.0739
            19  C8x C    27.5637  -19.1729
            20  C8y C    27.6337  -23.3711
            21  C8y C    20.3569  -23.4411
            22  C8x C    27.5637  -17.7736
            23  O2a O    28.8232  -24.0708
            24  O1a O    19.1674  -24.1408
            25  C1b C    30.0826  -23.3011
            26  C1b C    31.2721  -24.0008
            27  N1c N    32.4616  -23.3011
            28  C1a C    33.7210  -24.0008
            29  C1a C    32.4616  -21.9017
BOND        31
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15    9  16 2
            16   10  17 1
            17   11  18 2
            18   12  19 1
            19   14  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   21  24 1
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   27  29 1
            29   15  20 2
            30   17  21 2
            31   19  22 2

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