| Entry |
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| Name |
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione;
5beta-Pregnane-11beta,21-diol-3,20-dione
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| Formula |
C21H32O4
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| Exact mass |
348.2301
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| Mol weight |
348.48
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| Structure |
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| Reaction |
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| Pathway |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
C05475 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 25
1 C1x C 14.4857 -17.1835
2 C5x C 14.4857 -18.5527
3 C1x C 15.6715 -19.2374
4 C1y C 16.8574 -18.5527
5 C1z C 16.8574 -17.1835
6 C1x C 15.6715 -16.4988
7 C1x C 18.0432 -19.2374
8 C1x C 19.2290 -18.5527
9 C1y C 19.2290 -17.1835
10 C1y C 18.0432 -16.4988
11 C1y C 20.4149 -16.4988
12 C1z C 20.4149 -15.1295
13 C1x C 19.2290 -14.4449
14 C1y C 18.0432 -15.1295
15 C1x C 22.7865 -16.4988
16 C1x C 22.7865 -15.1295
17 C1y C 21.6007 -14.4449
18 C5a C 21.6007 -13.0756
19 C1b C 22.7905 -12.3887
20 O5a O 20.4188 -12.3932
21 O1a O 23.9617 -13.0651
22 C1a C 16.8574 -15.8142
23 O5x O 13.2999 -19.2374
24 O1a O 16.8594 -14.4461
25 C1a C 20.4149 -13.7603
BOND 28
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 #Up
22 18 19 1
23 18 20 2
24 19 21 1
25 5 22 1 #Up
26 2 23 2
27 14 24 1 #Up
28 12 25 1 #Up
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