| Entry |
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| Name |
omega-Muricholate;
omega-Muricholic acid
|
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| Formula |
C24H40O5
|
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| Exact mass |
408.2876
|
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| Mol weight |
408.5714
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| Structure |
|
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| Pathway |
| map00121 | Secondary bile acid biosynthesis |
|
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C17727 omega-Muricholate
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 29
1 C1x C 21.5008 -19.9615
2 C1y C 21.5008 -21.3661
3 C1x C 22.6948 -22.0686
4 C1y C 23.8888 -21.3661
5 C1z C 23.8888 -19.9615
6 C1x C 22.6948 -19.3293
7 C1y C 25.0829 -22.0686
8 C1y C 26.2768 -21.3661
9 C1y C 26.2768 -19.9615
10 C1y C 25.0829 -19.3293
11 C1y C 27.4709 -19.3293
12 C1z C 27.4709 -17.9247
13 C1x C 26.2768 -17.2925
14 C1x C 25.0829 -17.9247
15 C1x C 29.7886 -19.3293
16 C1x C 29.7886 -17.9247
17 C1y C 28.6648 -17.2925
18 C1c C 28.6648 -15.9580
19 C1b C 29.7886 -15.2556
20 C1b C 30.9827 -15.9580
21 C6a C 32.1766 -15.2556
22 O6a O 33.3707 -15.9580
23 C1a C 23.8888 -18.6270
24 C1a C 27.4709 -16.6604
25 O1a O 20.3770 -22.0686
26 O6a O 32.1766 -13.9212
27 O1a O 25.0829 -23.4733
28 O1a O 27.4709 -22.0686
29 C1a C 27.4148 -15.2648
BOND 32
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 17 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 5 23 1 #Up
27 12 24 1 #Up
28 2 25 1 #Down
29 21 26 2
30 7 27 1 #Down
31 8 28 1 #Up
32 18 29 1 #Down
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