 | | COMPOUND: C17647 | |
| Entry |
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| Name |
alpha-Muricholate;
alpha-Muricholic acid;
5beta-Cholanic acid-3alpha,6beta,7alpha-triol;
3alpha,6beta,7alpha-Trihydroxy-5beta-cholan-24-oic 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
C17647 alpha-Muricholate
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| Other DBs |
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| KCF data |
ATOM 29
1 C1x C 23.9616 -24.2409
2 C1y C 23.9616 -25.6380
3 C1x C 25.1492 -26.3366
4 C1y C 26.3368 -25.6380
5 C1z C 26.3368 -24.2409
6 C1x C 25.1492 -23.6121
7 C1y C 27.5243 -26.3366
8 C1y C 28.7119 -25.6380
9 C1y C 28.7119 -24.2409
10 C1y C 27.5243 -23.6121
11 C1y C 29.8994 -23.6121
12 C1z C 29.8994 -22.2150
13 C1x C 28.7119 -21.5163
14 C1x C 27.5243 -22.2150
15 C1x C 32.2048 -23.6121
16 C1x C 32.2048 -22.2150
17 C1y C 31.0870 -21.5163
18 C1c C 31.0870 -20.1891
19 C1a C 30.2488 -18.7919
20 C1b C 32.2048 -19.4904
21 C1b C 33.3924 -20.1891
22 C6a C 34.5800 -19.4904
23 O6a O 35.7676 -20.1891
24 C1a C 26.3368 -22.9135
25 C1a C 29.8994 -20.8876
26 O1a O 22.8438 -26.3366
27 O6a O 34.5800 -18.1632
28 O1a O 27.5243 -27.7337
29 O1a O 29.9247 -26.3317
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 #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 2 26 1 #Down
30 22 27 2
31 7 28 1 #Up
32 8 29 1 #Down
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