| Entry |
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| Name |
3beta-Hydroxypregn-5-en-20-one sulfate;
Pregnenolone sulfate
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| Formula |
C21H32O5S
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| Exact mass |
396.197
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| Mol weight |
396.5408
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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
ST05 Steroid conjugates
ST0502 Sulfates
C18044 3beta-Hydroxypregn-5-en-20-one sulfate
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| Other DBs |
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| KCF data |
ATOM 27
1 C1x C 18.8298 -19.7398
2 C1y C 18.8298 -21.0698
3 C1x C 20.0198 -21.7698
4 C2y C 21.2098 -21.0698
5 C1z C 21.2098 -19.7398
6 C1x C 20.0198 -19.0398
7 C2x C 22.3998 -21.7698
8 C1x C 23.5898 -21.0698
9 C1y C 23.5898 -19.7398
10 C1y C 22.3998 -19.0398
11 C1y C 24.7798 -19.0398
12 C1z C 24.7798 -17.6398
13 C1x C 23.5898 -16.9398
14 C1x C 22.3998 -17.6398
15 O2a O 17.6399 -21.7698
16 C1a C 21.2098 -18.3398
17 C1a C 24.7798 -16.2398
18 S4a S 16.2399 -21.7698
19 O1d O 16.2399 -20.3698
20 O1d O 14.9099 -21.7698
21 O1d O 16.2399 -23.1698
22 C1x C 27.2047 -19.0398
23 C1x C 27.2047 -17.6398
24 C1y C 25.9922 -16.9398
25 C5a C 25.9922 -15.5398
26 C1a C 24.7798 -14.8398
27 O5a O 27.2047 -14.8398
BOND 30
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 2 15 1 #Up
18 5 16 1 #Up
19 12 17 1 #Up
20 15 18 1
21 18 19 1
22 18 20 2
23 18 21 2
24 11 22 1
25 22 23 1
26 23 24 1
27 12 24 1
28 24 25 1 #Up
29 25 26 1
30 25 27 2
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