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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(CCC(=O)NCCS(=O)(=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]ethanesulfonic acid |
| InChIKey | BHTRKEVKTKCXOH-BJLOMENOSA-N |
| INCHI | 1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 |
| Isómeros SMILES | C[C@H](CCC(=O)NCCS(=O)(=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 |
| PubChem CID | 387316 |
| Peso molecular | 499.72 |
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 |
| Clase | Steroids and steroid derivatives |
| Subclass | Bile acids, alcohols and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Taurinated bile acids and derivatives |
| Alternative Parents | Dihydroxy bile acids, alcohols and derivatives 7-hydroxysteroids 3-alpha-hydroxysteroids N-acyl amines Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Taurinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 7-hydroxysteroid - Fatty acyl - Fatty amide - N-acyl-amine - Alkanesulfonic acid - Cyclic alcohol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aliphatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety. |
| External Descriptors | Taurine 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 | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | May 08, 2026 | T424435 |
| Peso molecular | 499.700 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 499.297 Da |
| Monoisotopic Mass | 499.297 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 858.000 |
| 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 Jia, Jiying Zhu. (2023) Molecular Mechanism of ε-Polylysine Treatment of Animal-Derived Foods: Glycine Amidinotransferase Activity Implicates Upregulation of l-Arginine and Creatine. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:37793042] [10.1021/acs.jafc.3c04033] |
| 2. Yichun Liu, Kaimin Niu, Ruxia Wang, Xiaoxiao Liang, Chong Lin, Xin Wu, Zhenya Zhai. (2023) Taurochenodeoxycholic acid inhibits intestinal epithelial cell proliferation and induces apoptosis independent of the farnesoid X receptor. Food & Function, [PMID:37195071] [10.1039/D3FO00770G] |
| 3. Kedong Liu, Yun Chen, Zhaoqi Yang, Jian Jin. (2023) zwitterionic Pluronic analog-coated PLGA nanoparticles for oral insulin delivery. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:36870645] [10.1016/j.ijbiomac.2023.123870] |
| 4. 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] |
| 5. Tao Wang, Junjie Han, Huanqin Dai, Jingzu Sun, Jinwei Ren, Wenzhao Wang, Shanshan Qiao, Chang Liu, Li Sun, Shuangjiang Liu, Dianpeng Li, Shenglong Wei, Hongwei Liu. (2022) Polysaccharides from Lyophyllum decastes reduce obesity by altering gut microbiota and increasing energy expenditure. CARBOHYDRATE POLYMERS, [PMID:35989006] [10.1016/j.carbpol.2022.119862] |
| 6. 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] |
| 7. 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] |
| 8. 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] |
| 9. Chen Song, Hu Zongren, Tang Jianbang, Zhu Haipeng, Zheng Yuhua, Xiao Jiedong, Xu Youhua, Wang Yao, Luo Yi, Mo Xiaoying, Wu Yalan, Guo Jianwen, Zhang Yongliang, Luo Huanhuan. (2024) High temperature and humidity in the environment disrupt bile acid metabolism, the gut microbiome, and GLP-1 secretion in mice. Communications Biology, 7 (1): (1-13). [PMID:38632312] [10.1038/s42003-024-06158-w] |
| 10. 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] |
| 11. Junjie Chen, Yixian Cheng, Rui Fu, Xinyu Chen, Peng Zhang, Yixiao Lu, Bingsheng Liu, Peng Chen, Jiahao Wang, Haikun Cao, Jinghua Gu, Haosong Chen, Zilong Jiang, Ting Li, Jiawei Zhang, Bo Chen, Guodong Cao. (2025) Multiomics Reveals Nonphagocytosable Microplastics Induce Colon Inflammatory Injury via Bile Acid-Gut Microbiota Interactions and Barrier Dysfunction. ACS Applied Materials & Interfaces, [PMID:40682529] [10.1021/acsami.5c07250] |
| 12. 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] |
| 13. Lin Jing, Yixuan Liao, Honghong Zhan, Qianyu Chen, Xiaodong Wei, Yinda Qiu, Fancheng Meng, Zhihua Liao, Min Chen. (2025) Herpetrione alleviates ANIT-induced cholestatic liver injury by targeting FXR to suppress NF-κB signaling. JOURNAL OF ETHNOPHARMACOLOGY, [PMID:41176140] [10.1016/j.jep.2025.120839] |
| 14. Yang Yuexiang, Rong Zhiwei, Baitian Li, Wang Qing, Liu Chunzheng, Wang Zetian, Liao Lijun. (2025) TCDCA inhibits pyroptosis to alleviate sepsis-related acute hepatic injury via activating TGR5. Frontiers in Immunology, [PMID:41383592] [10.3389/fimmu.2025.1706041] |
| 15. Hongyu Jiang, Wenyan Xiong, Yingna Feng, Xingjie Li, Jinzhuo Tan, Zongde Zhang. (2026) Bile acids enrichment fuel tumor aerobic glycolysis and immune evasion via stabilizing FXR-RARα. Frontiers in Immunology, [PMID:] [10.3389/fimmu.2026.1750358] |
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