Determine the necessary mass, volume, or concentration for preparing a solution.
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224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
Glycolithocholic acid (Lithocholylglycine), an endogenous metabolite, is a glycine-conjugated secondary bile acid. Glycolithocholic acid can be used to diagnose ulcerative colitis (UC), non-alcoholic steatohepatitis (NASH) and primary sclerosing cholangitis (PSC).
Specifications
Specifications & Purity
Moligand™, ≥98%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Purity
≥98%
Names and Identifiers
| Canonical Smiles | CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
|---|---|
| IUPAC Name | 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 |
| InChIKey | XBSQTYHEGZTYJE-OETIFKLTSA-N |
| 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 |
| Isomeric 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 |
| PubChem CID | 115245 |
| Molecular Weight | 433.62 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Bile acids, alcohols and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Glycinated bile acids and derivatives |
| Alternative Parents | Monohydroxy bile acids, alcohols and derivatives 3-alpha-hydroxysteroids N-acyl-alpha amino acids Secondary alcohols Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Glycinated bile acid - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Cyclic alcohol - Secondary alcohol - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as glycinated bile acids and derivatives. These are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton. |
| External Descriptors | Glycine conjugates |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
VDR Tclin Vitamin D receptor (26531 Activities)
EPHA2 Tclin Ephrin type-A receptor 2 (3499 Activities)
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GPBAR1 Tchem G-protein coupled bile acid receptor 1 (1723 Activities)
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ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)
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ABCC11 Tbio ATP-binding cassette sub-family C member 11 (24 Activities)
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ST6GAL1 Tchem Beta-galactoside alpha-2,6-sialyltransferase 1 (179 Activities)
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Associated Targets(non-human)
St3gal3 CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (29 Activities)
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Slc10a1 Bile acid transporter (65 Activities)
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Boil Point(°C) | ~619.7° C at 760 mmHg (Predicted) |
|---|---|
| Melt Point(°C) | 176-178° C |
| Molecular Weight | 433.600 g/mol |
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 433.319 Da |
| Monoisotopic Mass | 433.319 Da |
| Topological Polar Surface Area | 86.600 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 695.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
References
| 1. Shun Zhang, Ting Cai, Jing Lin, Jia-Juan Liu, Yong-Gang Zhao, Min-Yi Cao. (2024) Analysis of 15 bile acids in human plasma based on C18 functionalized magnetic organic polymer nanocomposite coupled with liquid chromatography-tandem mass spectrometry. JOURNAL OF CHROMATOGRAPHY A, [PMID:38704923] [10.1016/j.chroma.2024.464962] |
| 2. Wen Ma, Mingxia Liu, Mengling Tu, Gang Wang, Jun Li, Fen Liu, Jian Yang, Xianjiang Li. (2024) Novel multi-layered MXene as laser desorption ionization mass spectrometry matrix for rapid detection of small biomolecules. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.157466] |
| 3. Chang Sun, Shuanghao Wang, Huihui Li, David Da Yong Chen. (2025) Characterization of Taurocholic Acid Binding With Insulin for Potential Oral Formulation Using Different Methods. ELECTROPHORESIS, [PMID:40235340] [10.1002/elps.8139] |
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