| Entry |
|
|---|
| Name |
21-Hydroxypregnenolone;
3beta,21-Dihydroxypregn-5-en-20-one
|
|---|
| Formula |
C21H32O3
|
|---|
| Exact mass |
332.2351
|
|---|
| Mol weight |
332.48
|
|---|
| Structure |
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|---|
| Reaction |
|
|---|
| Pathway |
|
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| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
C05485 21-Hydroxypregnenolone
|
|---|
| Other DBs |
|
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| LinkDB |
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|---|
| KCF data |
ATOM 24
1 C1x C 11.1300 -24.5000
2 C1y C 11.1300 -25.9000
3 C1x C 12.3424 -26.6000
4 C2y C 13.5549 -25.9000
5 C1z C 13.5549 -24.5000
6 C1x C 12.3424 -23.8000
7 C2x C 14.7673 -26.6000
8 C1x C 15.9797 -25.9000
9 C1y C 15.9797 -24.5000
10 C1y C 14.7673 -23.8000
11 C1y C 17.1922 -23.8000
12 C1z C 17.1922 -22.4000
13 C1x C 15.9797 -21.7000
14 C1x C 14.7673 -22.4000
15 C1x C 19.6170 -23.8000
16 C1x C 19.6170 -22.4000
17 C1y C 18.4046 -21.7000
18 O1a O 9.9176 -26.6000
19 C1a C 13.5549 -23.1002
20 C5a C 18.4046 -20.3000
21 C1a C 17.1922 -21.0000
22 C1b C 19.6211 -19.5977
23 O5a O 17.1962 -19.6023
24 O1a O 20.8186 -20.2892
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 2
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 2 18 1
22 5 19 1 #Up
23 17 20 1 #Up
24 12 21 1 #Up
25 20 22 1
26 20 23 2
27 22 24 1
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