Structure Database (LMSD)
Common Name
Glycolithocholic Acid
Systematic Name
N-[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]-glycine
Synonyms
- Lithocholic acid glycine conjugate
- GLCA
- Lithocholylglycine
LM ID
LMST05030009
Formula
Exact Mass
Calculate m/z
433.319209
Sum Composition
Status
Curated
3D model of Glycolithocholic Acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
Glycolithocholic acid is a glycine-conjugated form of the secondary bile acid lithocholic acid .1 It is increased in the liver of mice fed a diet supplemented with ursodeoxycholic acid .2 Glycolithocholic acid levels are decreased in the plasma following subcutaneous administration of PEG-obestatin(Cys10, Cys13), a modified peptide hormone, in lean or diet-induced obese mice.3 Serum glycolithocholic acid levels increase with age in children.4
This information has been provided by Cayman Chemical
References
References
String Representations
InChiKey (Click to copy)
XBSQTYHEGZTYJE-OETIFKLTSA-N
InChi (Click to copy)
InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
SMILES (Click to copy)
O[C@H]1C[C@@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)([H])CCC(=O)NCC(=O)O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
449.80
Topological Polar Surface Area
86.63
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
5.19
Molar Refractivity
121.27
Admin
Created at
-
Updated at
24th Apr 2024