| Entry |
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| Name |
Cygnocholate;
Cygnocholic acid;
3alpha,7alpha,15alpha-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 |
408.57
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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
C20868 Cygnocholate
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 C1y C 20.4400 -18.6200
2 C1y C 21.7000 -17.9900
3 C1y C 19.2500 -17.9200
4 C1y C 20.4400 -19.9500
5 C1z C 21.7000 -16.5200
6 C1y C 23.9400 -17.9900
7 C1z C 18.0600 -18.6200
8 C1x C 19.2500 -16.5200
9 C1x C 19.2500 -20.6500
10 C1y C 22.8900 -15.8900
11 C1x C 20.4400 -15.8200
12 C1a C 21.6300 -15.2600
13 C1x C 24.0100 -16.5900
14 C1y C 18.0600 -19.9500
15 C1x C 16.8700 -17.9200
16 C1a C 18.0600 -17.2200
17 C1c C 22.8900 -14.1400
18 C1x C 16.8700 -20.6500
19 C1x C 15.6100 -18.6200
20 C1b C 24.0800 -13.4400
21 C1a C 21.7700 -13.0900
22 C1y C 15.6100 -19.9500
23 C1b C 25.2000 -14.1400
24 O1a O 14.4200 -20.6500
25 C6a C 26.3900 -13.5100
26 O6a O 27.5800 -14.2100
27 O6a O 26.3900 -12.1100
28 O1a O 21.6553 -20.6451
29 O1a O 24.9049 -19.0044
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1
15 7 16 1 #Up
16 10 17 1
17 14 18 1
18 15 19 1
19 17 20 1
20 17 21 1 #Down
21 18 22 1
22 20 23 1
23 22 24 1 #Down
24 23 25 1
25 25 26 1
26 25 27 2
27 8 11 1
28 9 14 1
29 10 13 1
30 19 22 1
31 4 28 1 #Down
32 6 29 1 #Down
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