| Entry |
|
|---|
| Name |
5alpha-Pregnane-3alpha,17alpha-diol-20-one;
3alpha,17alpha-Dihydroxy-5alpha-pregnan-20-one;
17alpha-Hydroxyallopregnanolone
|
|---|
| Formula |
C21H34O3
|
|---|
| Exact mass |
334.2508
|
|---|
| Mol weight |
334.49
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Module |
| M00977 | C19-Steroid hormone biosynthesis (androgen backdoor pathway), pregnenolone => androsterone => dihydrotestosterone |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C1x C 15.1200 -17.0100
2 C1y C 15.1200 -18.3400
3 C1x C 16.3100 -18.9700
4 C1y C 17.4300 -18.3400
5 C1z C 17.4300 -17.0100
6 C1x C 16.3100 -16.3100
7 C1x C 18.6200 -18.9700
8 C1x C 19.8800 -18.3400
9 C1y C 19.8800 -17.0100
10 C1y C 18.6200 -16.3100
11 C1y C 21.0000 -16.3100
12 C1z C 21.0000 -14.9100
13 C1x C 19.8800 -14.2800
14 C1x C 18.6200 -14.9100
15 O1a O 13.9300 -18.9700
16 C1a C 17.4300 -15.6100
17 C1a C 21.0000 -13.5800
18 C1x C 23.3800 -16.3100
19 C1x C 23.3800 -14.9100
20 C1z C 22.1900 -14.2800
21 C5a C 22.1900 -12.8800
22 O5a O 21.0000 -12.1800
23 C1a C 23.3800 -12.1800
24 O1a O 23.3800 -13.5800
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 2 15 1 #Down
18 5 16 1 #Up
19 12 17 1 #Up
20 11 18 1
21 18 19 1
22 19 20 1
23 12 20 1
24 20 21 1 #Up
25 21 22 2
26 21 23 1
27 20 24 1 #Down
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|---|
