乙磺酸,2-[(3a,5b)-24-氧代-3-(磺酰氧基)胆聚糖-24-基]氨基]-(15324-65-9)名称与标识符
名称
英文别名:
Ethanesulfonic acid,2-[[(3a,5b)-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-;Taurolithocholic Acid Sulfate;2-[[(3alpha,5beta)-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid;(3alpha-Sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonate;3alpha-Sulfatolithocholyltaurine;Slct-3-sulfate;Taurolithocholate 3-sulfate;Taurolithocholate sulfate;Taurolithocholic acid 3-sulfate;TLC-S;C03642;N-(2-Sulfoethyl)-3-(sulfooxy)cholan-24-imidato;Q27102671;BDBM50375575;LMST05020003;Taurolithocholic acid 3-sulphate;ST 24:1;O3;T;S;Taurolithocholate 3-sulphate;CHEMBL270493;CHEBI:17864;DTXSID00934710;2-[(24-oxo-3alpha-sulfooxy-5beta-cholan-24-yl)amino]ethanesulfonic acid;15324-65-9;PD054038;Taurolithocholate sulphate;Taurolithocholic acid sulphate;NS00015190;Slct-3-sulphate;N-(3alpha-hydroxy-5beta-cholan-24-oyl)-taurine 3-sulfate;
标识符
InChIKey:
HSNPMXROZIQAQD-GBURMNQMSA-N
Inchi:
1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
SMILES:
S(=O)(=O)(O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(NCCS(=O)(=O)O)=O)CC[C@H]21