Sulfoglycolithocholic 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]acetic acid

Also Known As: Sulfoglycolithocholic acid|Sulfolithocholylglycine|Glycolithocholic acid 3-sulfate|Sulfolithoglycocholine|Glycine amidated|Glycolithocholic acid sulfate|Glycolithocholate 3-sulfate|GLCA-Sul|Sulfoglycolithocholate|Glycolithocholate sulfate|LCA-Sul|SLCG|Glycolithocholate sulphate|Glycolithocholate 3-sulphate|glycolithocholic acid sulphate|glycolithocholic acid-3-sulfate|Glycolithocholic acid 3-sulphate|ST 24:1;O3;G;S|3-Sulfoglycolithocholic acid disodium|EX-A10344|Glycine-amidated lithocholic acid sulfate|GLYCOLITHOCHOLIC ACID 3.ALPHA.-SULFATE|N-[3alpha-(sulfooxy)-5beta-cholan-24-oyl]glycine|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]acetic acid|Glycine, N-[(3a,5b)-24-oxo-3-(sulfooxy)cholan-24-yl]-|N-(3alpha-(sulfooxy)-5beta-cholan-24-oyl)glycine

Molecular Formula	C26H43NO7S
Molecular Weight	513.276 g/mol
LogP	4.45
Topological Polar Surface Area	130.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	513.276
Heavy Atoms	35
Complexity	922.7

Chemical Identifiers

CAS Number	15324-64-8
SMILES	C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C