N-[(3α,5β,12β)-12-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine

More details:

• Systematic name

  2-[[(4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-12-hydroxy-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]acetic acid

• SMILES

  C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C

• Std. InChi

  InChI=1S/C26H43NO8S/c1-15(4-9-23(29)27-14-24(30)31)19-7-8-20-18-6-5-16-12-17(35-36(32,33)34)10-11-25(16,2)21(18)13-22(28)26(19,20)3/h15-22,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16-,17-,18+,19-,20+,21+,22-,25+,26-/m1/s1

• Std. InChIKey

  QJZCNFGUZPMYAX-LAMMBKDISA-N

• Cite this record

  CSID:71044271, http://www.chemspider.com/Chemical-Structure.71044271.html (accessed 16:11, Apr 26, 2024)