| Entry |
|
|---|
| Name |
Endoxifen;
4-Hydroxy-N-desmethyltamoxifen
|
|---|
| Formula |
C25H27NO2
|
|---|
| Exact mass |
373.2042
|
|---|
| Mol weight |
373.4874
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00982 | Drug metabolism - cytochrome P450 |
|
|---|
| Enzyme |
|
|---|
| Brite |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C2c C 16.1550 -16.8617
2 C2c C 16.1550 -15.4623
3 C8y C 17.3445 -17.5614
4 C8y C 14.8956 -17.6314
5 C8y C 17.3445 -14.7626
6 C1b C 14.8956 -14.8326
7 C8x C 17.3445 -18.9608
8 C8x C 18.5339 -16.8617
9 C8x C 14.8955 -19.0308
10 C8x C 13.7061 -16.9317
11 C8x C 17.3445 -13.3634
12 C8x C 18.5339 -15.4623
13 C1a C 13.7061 -15.5323
14 C8x C 18.6038 -19.6605
15 C8x C 19.7933 -17.5614
16 C8x C 13.7761 -19.7305
17 C8x C 12.5166 -17.6314
18 C8x C 18.5339 -12.6637
19 C8x C 19.7233 -14.7626
20 C8y C 19.7933 -18.9608
21 C8y C 12.5166 -19.0308
22 C8x C 19.7233 -13.3634
23 O2a O 20.9828 -19.6605
24 O1a O 11.3271 -19.7305
25 C1b C 22.2422 -18.8908
26 C1b C 23.4317 -19.5905
27 N1b N 24.6212 -18.8908
28 C1a C 25.8805 -19.5905
BOND 30
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 15 20 2
29 17 21 2
30 19 22 2
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