Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
|---|---|
| IUPAC Name | 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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 | GHCZAUBVMUEKKP-GYPHWSFCSA-N |
| INCHI | 1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,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]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| Molecular Weight | 449.62 |
| Reaxy-Rn | 28775435 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28775435&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 | Dihydroxy bile acids, alcohols and derivatives 7-hydroxysteroids 3-alpha-hydroxysteroids N-acyl-alpha amino acids N-acyl amines Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Glycinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - 3-alpha-hydroxysteroid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Oct 28, 2023 | G304255 | |
| Certificate of Analysis | Oct 28, 2023 | G304255 | |
| Certificate of Analysis | Oct 28, 2023 | G304255 | |
| Certificate of Analysis | May 30, 2022 | G304255 | |
| Certificate of Analysis | May 30, 2022 | G304255 | |
| Certificate of Analysis | May 30, 2022 | G304255 | |
| Certificate of Analysis | Jun 08, 2021 | G304255 |
| Molecular Weight | 449.600 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 449.314 Da |
| Monoisotopic Mass | 449.314 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 727.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| 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 |
| 1. Wei Xu, Yingying Kong, Tuo Zhang, Zhihua Gong, Wenjun Xiao. (2022) L-Theanine regulates lipid metabolism by modulating gut microbiota and bile acid metabolism. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 103 (3): (1283-1293). [PMID:36087337] [10.1002/jsfa.12222] |
| 2. Ma Wen, Yang Bingxin, Li Jun, Liu Mingxia, Li Xianjiang, Liu Huwei. (2022) Maltose-functional metal–organic framework assisted laser desorption/ionization mass spectrometry for small biomolecule determination. MICROCHIMICA ACTA, 189 (7): (1-8). [PMID:35689150] [10.1007/s00604-022-05338-x] |
| 3. Xiaoxu Cheng, Zifeng Pi, Zhong Zheng, Shu Liu, Fengrui Song, Zhiqiang Liu. (2022) Combined 16S rRNA gene sequencing and metabolomics to investigate the protective effects of Wu-tou decoction on rheumatoid arthritis in rats. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, [PMID:35447521] [10.1016/j.jchromb.2022.123249] |
| 4. 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] |
| 5. Qian Fang, Xiaoying Hou, Limei Fan, Yufei Deng, Xiaoxuan Li, Hongyun Zhang, Haiping Wang, Zhengqi Fu, Binlian Sun, Xiji Shu, Hongzhi Du, Yuchen Liu. (2025) Gut microbiota derived DCA enhances FOLFOX efficacy via Ugt1a6b mediated enterohepatic circulation in colon cancer. PHARMACOLOGICAL RESEARCH, [PMID:39894186] [10.1016/j.phrs.2025.107636] |
| 6. Huisheng Zhou, Xi Zhou, Guobin Huang, Yuanyuan Zhao, Peixiang Lan, Zhishui Chen. (2025) Inhibition of ferroptosis protects intrahepatic bile duct cells against ischemia–reperfusion and bile salt toxicity. BIOCHEMICAL PHARMACOLOGY, [PMID:39890033] [10.1016/j.bcp.2025.116788] |
| 7. 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] |
| 8. Shilin Jiang, Yaqiong Chen, Jinhui Liang, Huanxin Xiao, Mingxia Lin, Xiping Cui, Suqing Zhao. (2024) AgPd NPs-based Lateral flow immunoassay for simultaneous detection of glycocholic acid and alpha-fetoprotein. Analytical Methods, [PMID:38372146] [10.1039/D3AY02286B] |
| 9. Xiao Xina, Hu Meng, Gao Li, Yuan Huan, Chong Baochen, Liu Yu, Zhang Rou, Gong Yanqiu, Du Dan, Zhang Yong, Yang Hao, Liu Xiaohui, Zhang Yan, Zhang Huiyuan, Xu Heng, Zhao Yi, Meng Wenbo, Xie Dan, Lei Peng, Qi Shiqian, Peng Yong, Tan Tao, Yu Yang, Hu Hongbo, Dong Biao, Dai Lunzhi. (2025) Low-input redoxomics facilitates global identification of metabolic regulators of oxidative stress in the gut. Signal Transduction and Targeted Therapy, 10 (1): (1-18). [PMID:39774148] [10.1038/s41392-024-02094-7] |
| 10. Danhua Zhu, Qingmiao Shi, Xiaoxi Ouyang, Yanhong Zhang, Xiaopeng Yu, Long Yang, Kunkai Su, Lanjuan Li. (2026) Integrative transcriptomic and metabolomic analyses of puerarin against cholestatic liver fibrosis. Current Molecular Pharmacology, [PMID:] [10.1016/j.cmp.2026.04.003] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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