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 2-8°C,Argon charged Ships Wet ice 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 21 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Taurocholic Acid is a choleretic steroid which has been used for the quantification of conjugated bile acids in dried blood spots using electrospray ionization-mass spectrometry. Additionally, its sodium salt can act as a lipase accelerator.
| pKa | pKₐ: 1.42 (Predicted) |
|---|---|
| Ki Data | Solute carrier organic anion transporter family member 1A1: Ki= 10.8 μM (rat); Solute carrier organic anion transporter family member 1A4: Ki= 39.4 μM (rat); Ileal bile acid transporter: Ki= 41.5 μM (human); Solute carrier organic anion transporter family |
| Pubchem Sid | 504751152 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751152 |
| Canonical Smiles | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C |
| IUPAC Name | 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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 | WBWWGRHZICKQGZ-HZAMXZRMSA-N |
| INCHI | 1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 |
| Isomeric SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| Alternate CAS | 81-24-3,345909-26-4,145-42-6 (mono-hydrochloride salt) |
| PubChem CID | 6675 |
| NSC Number | 25505 |
| MeSH Entry Terms | Cholyltaurine;Sodium Taurocholate;Taurine Cholate;Taurocholate;Taurocholate Sodium;Taurocholate, Sodium;Taurocholic Acid;Taurocholic Acid, (5 alpha)-Isomer;Taurocholic Acid, (7 beta)-Isomer;Taurocholic Acid, Monolithium Salt;Taurocholic Acid, Monosodium S |
| Molecular Weight | 515.7 |
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 | Hydroxy bile acids, alcohols and derivatives |
| Direct Parent | Trihydroxy bile acids, alcohols and derivatives |
| Alternative Parents | 7-hydroxysteroids 3-alpha-hydroxysteroids 12-hydroxysteroids Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary alcohols Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Polyols Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Trihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 7-hydroxysteroid - Cyclic alcohol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Secondary alcohol - Carboximidic acid - Polyol - Carboximidic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. |
| 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 | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 04, 2025 | T336942 | |
| Certificate of Analysis | Dec 04, 2025 | T336942 | |
| Certificate of Analysis | Dec 04, 2025 | T336942 | |
| Certificate of Analysis | Dec 04, 2025 | T336942 | |
| Certificate of Analysis | Dec 04, 2025 | T336942 | |
| Certificate of Analysis | Dec 04, 2025 | T336942 | |
| Certificate of Analysis | Oct 14, 2025 | T336942 | |
| Certificate of Analysis | Oct 14, 2025 | T336942 | |
| Certificate of Analysis | Oct 14, 2025 | T336942 | |
| Certificate of Analysis | Oct 14, 2025 | T336942 | |
| Certificate of Analysis | Nov 15, 2024 | T336942 | |
| Certificate of Analysis | Nov 15, 2024 | T336942 | |
| Certificate of Analysis | Nov 15, 2024 | T336942 | |
| Certificate of Analysis | Nov 15, 2024 | T336942 | |
| Certificate of Analysis | Nov 15, 2024 | T336942 | |
| Certificate of Analysis | Nov 15, 2024 | T336942 | |
| Certificate of Analysis | Nov 15, 2024 | T336942 | |
| Certificate of Analysis | Nov 15, 2024 | T336942 | |
| Certificate of Analysis | Nov 26, 2022 | T336942 | |
| Certificate of Analysis | Nov 26, 2022 | T336942 | |
| Certificate of Analysis | Nov 26, 2022 | T336942 | |
| Certificate of Analysis | Nov 26, 2022 | T336942 | |
| Certificate of Analysis | Nov 26, 2022 | T336942 |
| Solubility | Soluble in water, hot alcohol, ethyl acetate (slightly), and ether. |
|---|---|
| Sensitivity | Hygroscopic |
| Refractive Index | n20D1.57 (Predicted) |
| Specific Rotation[α] | α18/D +38.8°, c = 0.002 in alcohol |
| Melt Point(°C) | 125° C |
| Molecular Weight | 515.700 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 515.292 Da |
| Monoisotopic Mass | 515.292 Da |
| Topological Polar Surface Area | 153.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 891.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| 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. Zihang Yuan, Jie Wang, Haoran Zhang, Yuanyuan Chai, Yunxia Xu, Yingying Miao, Ziqiao Yuan, Luyong Zhang, Zhenzhou Jiang, Qinwei Yu. (2022) Glycocholic acid aggravates liver fibrosis by promoting the up-regulation of connective tissue growth factor in hepatocytes. CELLULAR SIGNALLING, [PMID:36341984] [10.1016/j.cellsig.2022.110508] |
| 3. 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] |
| 4. 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] |
| 5. 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] |
| 6. 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] |
| 7. Chen Lirong, Guo Yuqiu, Li Xiaoyue, Gong Kuijie, Liu Kaichang. (2021) Phenolics and related in vitro functional activities of different varieties of fresh waxy corn: a whole grain. BMC Chemistry, 15 (1): (1-9). [PMID:33648574] [10.1186/s13065-021-00740-7] |
| 8. Yufei Sun, Zhiqiang Liu, Zifeng Pi, Fengrui Song, Jianlin Wu, Shu Liu. (2021) Poria cocos could ameliorate cognitive dysfunction in APP/PS1 mice by restoring imbalance of Aβ production and clearance and gut microbiota dysbiosis. PHYTOTHERAPY RESEARCH, 35 (5): (2678-2690). [PMID:33432644] [10.1002/ptr.7014] |
| 9. Qiyi He, Huiyi Yang, Yingshan Chen, Ding Shen, Xiping Cui, Chunguo Zhang, Huanxin Xiao, Sergei A. Eremin, Yanxiong Fang, Suqing Zhao. (2020) Prussian blue nanoparticles with peroxidase-mimicking properties in a dual immunoassays for glycocholic acid. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:32416340] [10.1016/j.jpba.2020.113317] |
| 10. Min Gu, Nan Bai, Trond M Kortner. (2016) Taurocholate supplementation attenuates the changes in growth performance, feed utilization, lipid digestion, liver abnormality and sterol metabolism in turbot (Scophthalmus maximus) fed high level of plant protein. AQUACULTURE, [PMID:] [10.1016/j.aquaculture.2016.11.022] |
| 11. Guan-Lin Chen, Song-Gen Chen, Ying-Qing Xie, Fu Chen, Ying-Ying Zhao, Chun-Xia Luo, Yong-Qing Gao. (2015) Total phenolic, flavonoid and antioxidant activity of 23 edible flowers subjected to in vitro digestion. Journal of Functional Foods, [PMID:] [10.1016/j.jff.2015.05.028] |
| 12. 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] |
| 13. Sha Dandan, Yuan Minghui, Zhang Lin, Li Hongli. (2025) Characterization of insulin and bile acid complexes in liposome by different mass spectrometry techniques. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, [PMID:39870873] [10.1007/s00216-025-05753-y] |
| 14. Tong Liu, Siqing Fan, Pengfei Meng, Mingxia Ma, Yanxin Wang, Jiaojiao Han, Yufei Wu, Xiao Li, Xiurong Su, Chenyang Lu. (2024) Dietary Dihydroquercetin Alleviated Colitis via the Short-Chain Fatty Acids/miR-10a-5p/PI3K-Akt Signaling Pathway. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:39393822] [10.1021/acs.jafc.4c03278] |
| 15. 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] |
| 16. 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] |
| 17. Lingzheng Lu, Conghui Shan, Difei Tong, Yingying Yu, Weixia Zhang, Xunyi Zhang, Yang Shu, Weifeng Li, Guangxu Liu, Wei Shi. (2024) Olfactory toxicity of tetrabromobisphenol A to the goldfish Carassius auratus. JOURNAL OF HAZARDOUS MATERIALS, [PMID:39213767] [10.1016/j.jhazmat.2024.135661] |
| 18. Te Yu, Yonggang Dai, Zifei Wang, Yang Gao, Qiong Wu. (2025) Ultrasound-induced modifications of Auricularia auricula polysaccharides: Implications for antioxidant and glucose-lowering activities. Food Chemistry-X, [PMID:39974537] [10.1016/j.fochx.2025.102209] |
| 19. Shuzhi Cui, Wei Gao, Yuxin Chen, Yi Xu, Zhifang Li, Yu Wei, Yaming Jiu. (2025) CDC42 supports HBV entry by NTCP translocation to the plasma membrane and macropinocytosis. EMBO REPORTS, [PMID:40954218] [10.1038/s44319-025-00581-8] |
| 20. Guan-Lin Chen, Song-Gen Chen, Fu Chen, Ying-Qing Xie, Men-Di Han, Chun-Xia Luo, Ying-Ying Zhao, Yong-Qing Gao. (2015) Nutraceutical potential and antioxidant benefits of selected fruit seeds subjected to an in vitro digestion. Journal of Functional Foods, [PMID:] [10.1016/j.jff.2015.11.003] |
| 21. Jieying Zhou, Wei Luo, Lingxin Zeng, Shihao Xu, Ruohan Wu, Jiaqi Lu, Ying Li, Wei Xiong. (2026) A Bubble-Driven Drug Delivery System Enhances Oral Absorption and Antipyretic Efficacy of Poorly Water-Soluble Andrographolide. International Journal of Nanomedicine, [PMID:] [10.2147/IJN.S574265] |
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