| Entry |
|
|---|
| Name |
4-Hydroxy-17beta-estradiol;
4-Hydroxyestradiol;
4-OH-Estradiol
|
|---|
| Formula |
C18H24O3
|
|---|
| Exact mass |
288.1725
|
|---|
| Mol weight |
288.3814
|
|---|
| Structure |
|
|---|
| Pathway |
| map05208 | Chemical carcinogenesis - reactive oxygen species |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C14209 4-Hydroxy-17beta-estradiol
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C1y C 25.0339 -23.1690
2 C1y C 23.8866 -23.8279
3 C1z C 25.0395 -21.8513
4 C1x C 27.3793 -23.1973
5 C1y C 22.7450 -23.1518
6 C1x C 23.8866 -25.1511
7 C1x C 23.9094 -21.1810
8 C1y C 26.1925 -21.2037
9 C1a C 25.0339 -20.3919
10 C1x C 27.3983 -21.8796
11 C8y C 21.5920 -23.8165
12 C1x C 22.7563 -21.8341
13 C1x C 22.7336 -25.8043
14 O1a O 26.1869 -19.6029
15 C8y C 21.5864 -25.1397
16 C8x C 20.4448 -23.1518
17 C8y C 20.4448 -25.7985
18 C8x C 19.2352 -23.8165
19 C8y C 19.2276 -25.1397
20 O1a O 18.1444 -25.7985
21 O1a O 20.4637 -27.1719
BOND 24
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 8 14 1 #Up
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 7 12 1
21 8 10 1
22 13 15 1
23 18 19 1
24 17 21 1
|
|---|
