| Entry |
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| Name |
3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione;
5beta-Pregnane-3alpha,21-diol-11,20-dione
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| Formula |
C21H32O4
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| Exact mass |
348.2301
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| Mol weight |
348.4764
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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
C05478 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 25
1 C1x C 14.4917 -17.3180
2 C1y C 14.4917 -18.6830
3 C1x C 15.6738 -19.3655
4 C1y C 16.8560 -18.6830
5 C1z C 16.8560 -17.3180
6 C1x C 15.6738 -16.6355
7 C1x C 18.0381 -19.3655
8 C1x C 19.2202 -18.6830
9 C1y C 19.2202 -17.3180
10 C1y C 18.0381 -16.6355
11 C1y C 20.4024 -16.6355
12 C1z C 20.4024 -15.2705
13 C1x C 19.2202 -14.5880
14 C5x C 18.0381 -15.2705
15 C1x C 22.7665 -16.6355
16 C1x C 22.7665 -15.2705
17 C1y C 21.5845 -14.5880
18 O5x O 16.8580 -14.5891
19 C1a C 16.8560 -15.9530
20 O1a O 13.3096 -19.3655
21 C1a C 20.4024 -13.9055
22 C5a C 21.5845 -13.2230
23 C1b C 22.7705 -12.5382
24 O5a O 20.4063 -12.5427
25 O1a O 23.9381 -13.2124
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 14 18 2
22 5 19 1 #Up
23 2 20 1 #Down
24 12 21 1 #Up
25 17 22 1 #Up
26 22 23 1
27 22 24 2
28 23 25 1
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