| Entry |
|
|---|
| Name |
2-Hydroxyestradiol;
2-Hydroxyestradiol-17beta;
2-OH-Estradiol
|
|---|
| Formula |
C18H24O3
|
|---|
| Exact mass |
288.1725
|
|---|
| Mol weight |
288.38
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map05208 | Chemical carcinogenesis - reactive oxygen species |
|
|---|
| Enzyme |
|
|---|
| Brite |
Compounds with biological roles [BR:br08001]
Steroids
18-Carbon atoms
Estrane derivatives
C05301 2-Hydroxyestradiol
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C05301 2-Hydroxyestradiol-17beta
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C1y C 31.1877 -17.4067
2 C1y C 30.0374 -18.0673
3 C1z C 31.1933 -16.0856
4 C1x C 33.5391 -17.4351
5 C1y C 28.8928 -17.3895
6 C1x C 30.0374 -19.3939
7 C1x C 30.0602 -15.4136
8 C1y C 32.3492 -15.4364
9 C1a C 31.1877 -14.6225
10 C1x C 33.5582 -16.1140
11 C8y C 27.7369 -18.0559
12 C1x C 28.9042 -16.0684
13 C1x C 28.8814 -20.0488
14 O1a O 32.3436 -13.8314
15 C8y C 27.7313 -19.3825
16 C8x C 26.5867 -17.3895
17 C8x C 26.5867 -20.0430
18 C8y C 25.3740 -18.0559
19 C8y C 25.3664 -19.3825
20 O1a O 24.2804 -20.0430
21 O1a O 24.2064 -17.4012
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 18 21 1
|
|---|
