Cas no 86386-60-9 (Tauroursocholic acid)
Tauroursocholic acid structure
Product Name:Tauroursocholic acid
CAS No:86386-60-9
MF:C26H45NO7S
MW:515.703007459641
CID:991580
Update Time:2024-03-01
Tauroursocholic acid Chemical and Physical Properties
Names and Identifiers
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- 2-[[(3a,5b,7b,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-Ethanesulfonic acid
- Tauroursocholic acid
- Tauroursocholate
- LMST05040014
-
- Inchi： 1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21+,22+,24+,25+,26-/m1/s1
- InChI Key： WBWWGRHZICKQGZ-FREJXKSPSA-N
- SMILES： S(CCNC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@@H]([C@@]21C)O)O)O)=O)(=O)(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 35
- Rotatable Bond Count: 7
- Complexity: 891
- Topological Polar Surface Area: 153
Tauroursocholic acid Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Taurinated bile acids and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Taurinated bile acids and derivatives
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