| Entry |
|
|---|
| Name |
Isopregnanolone;
Epiallopregnanolone;
3beta-Hydroxy-5alpha-pregnan-20-one
|
|---|
| Formula |
C21H34O2
|
|---|
| Exact mass |
318.2559
|
|---|
| Mol weight |
318.49
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
C15484 Isopregnanolone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C1y C 19.4768 -16.9108
2 C1y C 18.3095 -16.2480
3 C1y C 20.6322 -16.2358
4 C1x C 19.4768 -18.2362
5 C1z C 17.1664 -16.9230
6 C1x C 18.3095 -14.9103
7 C1z C 20.6322 -14.8982
8 C1x C 22.9550 -16.2358
9 C1x C 18.3217 -18.9051
10 C1y C 17.1664 -18.2485
11 C1x C 16.0172 -16.2663
12 C1a C 17.1664 -15.3846
13 C1x C 19.4647 -14.2355
14 C1y C 21.8056 -14.2293
15 C1x C 22.9550 -14.9043
16 C1x C 16.0172 -18.9173
17 C1x C 14.8862 -16.9230
18 C5a C 21.8056 -12.9159
19 C1y C 14.8862 -18.2485
20 C1a C 22.9428 -12.2715
21 C1a C 20.6322 -13.4373
22 O1a O 13.6109 -18.9762
23 O5a O 20.5219 -12.1684
BOND 26
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 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 8 15 1
15 10 16 1
16 11 17 1
17 14 18 1 #Up
18 16 19 1
19 18 20 1
20 7 13 1
21 9 10 1
22 14 15 1
23 17 19 1
24 7 21 1 #Up
25 19 22 1 #Up
26 18 23 2
|
|---|
