Glycolithocholic Acid

2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-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: Glycolithocholic acid|Lithocholylglycine|Glycolithocholate|GLCa|lithocholoyglycine|Lithocholic acid glycine conjugate|Glykolithocholsaure|LITHOGLYCOCHOLATE|Glycolithocholic acid sodium|BIDD:PXR0159|3a-Hydroxy-5b-cholanoylglycine|A-Hydroxy-5|A-cholanoylglycine|Glycolithocholic acid (6CI,7CI)|Glycine, N-[(3a,5b)-3-hydroxy-24-oxocholan-24-yl]-|N-(3a-Hydroxy-5b-cholanoyl)glycine|PDSP2_001234|ST 24:1;O2;G|3alpha-hydroxy-5beta-cholan-24-oate|Lithocholic acid glycine conjugic acid|3a-Hydroxy-5b-cholanic acid glycine ester|N-(3|A-Hydroxy-5|A-cholanoyl)glycine|3alpha-Hydroxy-5beta-cholan-24-oic acid

Molecular Formula	C26H43NO4
Molecular Weight	433.3192 g/mol
LogP	4.62
Topological Polar Surface Area	86.63 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	433.3192
Heavy Atoms	31
Complexity	694.9

Chemical Identifiers

CAS Number	474-74-8
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)O)C)C