| Entry |
|
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| Name |
12-Epideoxycholic acid;
12-Epideoxycholate
|
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| Formula |
C24H40O4
|
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| Exact mass |
392.2927
|
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| Mol weight |
392.572
|
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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
C17646 12-Epideoxycholic acid
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 28
1 C1x C 21.5475 -20.3571
2 C1y C 21.5475 -21.7564
3 C1x C 22.7368 -22.4560
4 C1y C 23.9262 -21.7564
5 C1z C 23.9262 -20.3571
6 C1x C 22.7368 -19.7275
7 C1x C 25.1156 -22.4560
8 C1x C 26.3050 -21.7564
9 C1y C 26.3050 -20.3571
10 C1y C 25.1156 -19.7275
11 C1y C 27.4943 -19.7275
12 C1z C 27.4943 -18.3282
13 C1y C 26.3050 -17.6286
14 C1x C 25.1156 -18.3282
15 C1x C 29.8031 -19.7275
16 C1x C 29.8031 -18.3282
17 C1y C 28.6837 -17.6286
18 C1c C 28.6837 -16.2993
19 C1a C 27.8442 -14.9000
20 C1b C 29.8031 -15.5996
21 C1b C 30.9925 -16.2993
22 C6a C 32.1819 -15.5996
23 O6a O 33.3712 -16.2993
24 C1a C 23.9262 -19.0278
25 C1a C 27.4943 -16.9989
26 O1a O 26.3050 -16.2993
27 O1a O 20.4280 -22.4560
28 O6a O 32.1819 -14.2703
BOND 31
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 #Down
23 18 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 5 24 1 #Up
28 12 25 1 #Up
29 13 26 1 #Up
30 2 27 1 #Down
31 22 28 2
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