Entry |
|
Name |
Cortolone;
3alpha,17alpha,20alpha,21-Tetrahydroxy-5beta-pregnan-11-one
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Formula |
C21H34O5
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Exact mass |
366.2406
|
Mol weight |
366.49
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Structure |
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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
C05481 Cortolone
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Other DBs |
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LinkDB |
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KCF data |
ATOM 26
1 C1x C 14.4900 -25.1300
2 C1y C 14.4900 -26.5300
3 C1x C 15.7024 -27.2300
4 C1y C 16.9149 -26.5300
5 C1z C 16.9149 -25.1300
6 C1x C 15.7024 -24.4300
7 C1x C 18.1273 -27.2300
8 C1x C 19.3397 -26.5300
9 C1y C 19.3397 -25.1300
10 C1y C 18.1273 -24.4300
11 C1y C 20.5522 -24.4300
12 C1z C 20.5522 -23.0300
13 C1x C 19.3397 -22.3300
14 C5x C 18.1273 -23.0300
15 C1x C 22.9770 -24.4300
16 C1x C 22.9770 -23.0300
17 C1z C 21.7646 -22.3300
18 O1a O 13.2776 -27.2300
19 C1c C 21.7646 -20.9300
20 C1b C 22.9811 -20.2277
21 O1a O 24.1786 -20.9192
22 O1a O 20.5562 -20.2323
23 C1a C 20.5522 -21.6300
24 C1a C 16.9149 -23.7300
25 O5x O 16.9169 -22.3312
26 O1a O 23.1169 -21.9677
BOND 29
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 2 18 1 #Down
22 17 19 1
23 19 20 1
24 20 21 1
25 19 22 1 #Up
26 12 23 1 #Up
27 5 24 1 #Up
28 14 25 2
29 17 26 1 #Down
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