volixibat potassium (CHEBI:755735)

CHEBI:755735 - volixibat potassium

Formula	K.C38H50N3O12S2
Net Charge	0
Average Mass	844.059
Monoisotopic Mass	843.24730
SMILES	[H][C@@]1(c2cccc(NC(=O)N[C@@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](OCc4ccccc4)[C@H]3O)c2)c2cc(N(C)C)ccc2S(=O)(=O)C[C@@](CC)(CCCC)[C@@H]1O.[K+]
InChI	InChI=1S/C38H51N3O12S2.K/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50;/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50);/q;+1/p-1/t29-,31-,32-,33-,34+,35-,36-,38-;/m1./s1
InChIKey	CJMKTEIIPMBTJB-DXFHJFHKSA-M

ChEBI Ontology

Outgoing Relation(s)
	volixibat potassium (CHEBI:755735) is a organic heterobicyclic compound (CHEBI:27171)
	volixibat potassium (CHEBI:755735) is a organosulfur heterocyclic compound (CHEBI:38106)