| | COMPOUND: C05469 | |
Entry |
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Name |
17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione;
5beta-Pregnane-17alpha,21-diol-3,11,20-trione;
4,5beta-Dihydrocortisone
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Formula |
C21H30O5
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Exact mass |
362.2093
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Mol weight |
362.4599
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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
C05469 4,5beta-Dihydrocortisone
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Other DBs |
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KCF data |
ATOM 26
1 C1x C 13.4400 -26.8100
2 C5x C 13.4400 -28.2100
3 C1x C 14.6524 -28.9100
4 C1y C 15.8649 -28.2100
5 C1z C 15.8649 -26.8100
6 C1x C 14.6524 -26.1100
7 C1x C 17.0773 -28.9100
8 C1x C 18.2897 -28.2100
9 C1y C 18.2897 -26.8100
10 C1y C 17.0773 -26.1100
11 C1y C 19.5022 -26.1100
12 C1z C 19.5022 -24.7100
13 C1x C 18.2897 -24.0100
14 C5x C 17.0773 -24.7100
15 C1x C 21.9270 -26.1100
16 C1x C 21.9270 -24.7100
17 C1z C 20.7146 -24.0100
18 C1a C 15.8649 -25.4100
19 C5a C 20.7146 -22.6100
20 C1b C 21.9311 -21.9077
21 O5a O 19.5062 -21.9123
22 O1a O 23.1286 -22.5992
23 O1a O 22.0669 -23.6477
24 O5x O 12.2276 -28.9100
25 O5x O 15.8669 -24.0112
26 C1a C 19.5022 -23.3100
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 5 18 1 #Up
22 17 19 1 #Up
23 19 20 1
24 19 21 2
25 20 22 1
26 17 23 1 #Down
27 2 24 2
28 14 25 2
29 12 26 1 #Up
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