 | | COMPOUND: C13154 | |
| Entry |
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| Name |
Dehydrocholic acid;
3,7,12-Triketo-5beta-cholanoic acid
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| Formula |
C24H34O5
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| Exact mass |
402.2406
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| Mol weight |
402.5238
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| Structure |
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| Remark |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0401 C24 bile acids, alcohols, and derivatives
C13154 3,7,12-Triketo-5beta-cholanoic acid
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
23 Digestive organ agents
236 Cholagogues
2362 Bile acids
D01693 Dehydrocholic acid (JP18/USP/INN); Purified dehydrocholic acid (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Dehydrocholic acid
D01693 Dehydrocholic acid (JP18/USP/INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01956 Bile acid preparation
D01693 Dehydrocholic acid
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01693 Dehydrocholic acid
D01693 Purified dehydrocholic acid
D01693 Dehydrocholic acid for injection
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| Other DBs |
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| KCF data |
ATOM 29
1 C1x C 22.9331 -17.0388
2 C5x C 22.9331 -18.3965
3 C1x C 24.1088 -19.0754
4 C1y C 25.2847 -18.3965
5 C1z C 25.2847 -17.0388
6 C1x C 24.1088 -16.3600
7 C1x C 26.4605 -19.0754
8 C5x C 27.6362 -18.3965
9 C1y C 27.6362 -17.0388
10 C1y C 26.4605 -16.3600
11 C1y C 28.8121 -16.3600
12 C1z C 28.8121 -15.0023
13 C5x C 27.6362 -14.3235
14 C1x C 26.4605 -15.0023
15 O5x O 21.7573 -19.0754
16 O5x O 28.7976 -19.0671
17 O5x O 27.6362 -12.9659
18 C1a C 25.2847 -15.6812
19 C1a C 28.8121 -13.6446
20 C1x C 31.1636 -16.3600
21 C1x C 31.1636 -15.0023
22 C1y C 29.9878 -14.3235
23 C1c C 29.9878 -12.3548
24 C1b C 31.1676 -11.6737
25 C1a C 28.8160 -11.6782
26 C1b C 32.3289 -12.3443
27 C6a C 33.4793 -11.6801
28 O6a O 34.6351 -12.3476
29 O6a O 33.4795 -10.3185
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 2 15 2
18 8 16 2
19 13 17 2
20 5 18 1 #Up
21 12 19 1 #Up
22 11 20 1
23 20 21 1
24 21 22 1
25 12 22 1
26 22 23 1 #Up
27 23 24 1
28 23 25 1 #Down
29 24 26 1
30 26 27 1
31 27 28 1
32 27 29 2
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