 | | COMPOUND: C16260 | |
| Entry |
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| Name |
Scymnol;
5beta-Scymnol;
5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol
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| Formula |
C27H48O6
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| Exact mass |
468.3451
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| Mol weight |
468.6664
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| Structure |
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| Reaction |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0403 C27 bile acids, alcohols, and derivatives
C16260 Scymnol
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| Other DBs |
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| KCF data |
ATOM 33
1 C1x C 20.7855 -22.9496
2 C1y C 20.7855 -24.3117
3 C1x C 21.9650 -24.9928
4 C1y C 23.1447 -24.3117
5 C1z C 23.1447 -22.9496
6 C1x C 21.9650 -22.2686
7 C1x C 24.3243 -24.9928
8 C1y C 25.5038 -24.3117
9 C1y C 25.5038 -22.9496
10 C1y C 24.3243 -22.2686
11 C1y C 26.6835 -22.2686
12 C1z C 26.6835 -20.9065
13 C1y C 25.5038 -20.2255
14 C1x C 24.3243 -20.9065
15 C1x C 29.0427 -22.2686
16 C1x C 29.0427 -20.9065
17 C1y C 27.8631 -20.2255
18 O1a O 19.6059 -24.9928
19 O1a O 26.6690 -24.9845
20 O1a O 24.8228 -18.7954
21 C1a C 23.1447 -21.5876
22 C1c C 27.8631 -18.8634
23 C1a C 26.5512 -17.5717
24 C1b C 29.0466 -18.1800
25 C1b C 30.2117 -18.8529
26 C1c C 31.3659 -18.1865
27 C1c C 32.5254 -18.8562
28 C1b C 33.6824 -18.1882
29 O1a O 31.3661 -16.8205
30 C1a C 26.6835 -19.5444
31 C1b C 32.5254 -20.2252
32 O1a O 33.6855 -20.8952
33 O1a O 34.8405 -18.8570
BOND 36
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 8 19 1 #Down
23 13 20 1 #Down
24 5 21 1 #Up
25 17 22 1
26 22 23 1 #Down
27 22 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 26 29 1 #Up
33 12 30 1 #Up
34 27 31 1
35 31 32 1
36 28 33 1
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