N-[(3α,5β,7α,12β,20S)-7,12-Dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine

More details:

• Systematic name

  2-[[(4S)-4-[(3R,5R,7R,8R,9S,10S,12R,13R,14S,17R)-7,12-dihydroxy-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]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)O)C

• Std. InChi

  InChI=1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(29)26(17,18)3)25(2)9-8-16(36-37(33,34)35)10-15(25)11-20(24)28/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/t14-,15-,16+,17+,18-,19-,20+,21+,24-,25-,26+/m0/s1

• Std. InChIKey

  ZXUWKFXQTSOVDY-MDNLLIRVSA-N

• Cite this record

  CSID:71044272, http://www.chemspider.com/Chemical-Structure.71044272.html (accessed 21:15, Apr 28, 2024)