Molecule: lithocholate sulfate(2-)
A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of lithocholic acid sulfate; major species at pH 7.3.
Synonyms for lithocholate sulfate(2-) :
(3alpha,5beta)-3-(sulfonatooxy)cholan-24-oate
lithocholate 3-sulfate(2-)
lithocholate sulfate
sulfolithocholate(2-)
Molecular Formula: C24H38O6S
Molecular wt: 454.622 g/mole
Charge: -2
SMILES: C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)OS([O-])(=O)=O)[H])[H])(CC[C@@]4([C@H](C)CCC([O-])=O)[H])[H])C)[H])C
InChIKey: AXDXVEYHEODSPN-HVATVPOCSA-L
InChI=1S/C24H40O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29)/p-2/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
Sample reactions for this molecule: