| Entry |
|
|---|
| Name |
Pregnanediol;
5beta-Pregnane-3alpha,20alpha-diol;
Pregnandiol;
Diol
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| Formula |
C21H36O2
|
|---|
| Exact mass |
320.2715
|
|---|
| Mol weight |
320.5093
|
|---|
| Structure |
|
|---|
| Remark |
|
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| Reaction |
|
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| Pathway |
|
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| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
C05484 Pregnanediol
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 C1x C 28.5600 -18.2000
2 C1y C 28.5600 -19.6000
3 C1x C 29.7500 -20.3000
4 C1y C 30.9400 -19.6000
5 C1z C 30.9400 -18.2000
6 C1x C 29.7500 -17.5000
7 C1x C 32.1300 -20.3000
8 C1x C 33.2500 -19.6000
9 C1y C 33.2500 -18.2000
10 C1y C 32.1300 -17.5000
11 C1y C 34.4400 -17.5000
12 C1z C 34.4400 -16.1700
13 C1x C 33.2500 -15.4700
14 C1x C 32.1300 -16.1700
15 C1x C 36.8200 -17.5000
16 C1x C 36.8200 -16.1700
17 C1y C 35.6300 -15.4700
18 C1c C 35.6300 -14.1400
19 C1a C 36.8200 -13.4400
20 O1a O 34.4400 -13.4400
21 C1a C 34.4400 -14.7700
22 C1a C 30.9400 -16.8700
23 O1a O 27.3700 -20.3000
BOND 26
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 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1
22 18 19 1
23 18 20 1 #Up
24 12 21 1 #Up
25 5 22 1 #Up
26 2 23 1 #Down
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