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Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:27:25 UTC |
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Update Date | 2020-06-04 20:32:44 UTC |
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BMDB ID | BMDB0000251 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Taurine |
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Description | Taurine, also known as taufon or 2-sulfoethylamine, belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). Taurine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Taurine exists in all living species, ranging from bacteria to humans. Taurine is a potentially toxic compound. Taurine has been found to be associated with several diseases known as perillyl alcohol administration for cancer treatment, schizophrenia, irritable bowel syndrome, and sulfite oxidase deficiency, isolated; also taurine has been linked to the inborn metabolic disorders including maple syrup urine disease. |
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Structure | |
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Synonyms | Value | Source |
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2-Aminoethanesulfonic acid | ChEBI | 2-Aminoethyl sulfonate | ChEBI | Aminoethylsulfonic acid | ChEBI | beta-Aminoethylsulfonic acid | ChEBI | 2-Aminoethanesulfonate | Generator | 2-Aminoethanesulphonate | Generator | 2-Aminoethanesulphonic acid | Generator | 2-Aminoethyl sulfonic acid | Generator | 2-Aminoethyl sulphonate | Generator | 2-Aminoethyl sulphonic acid | Generator | Aminoethylsulfonate | Generator | Aminoethylsulphonate | Generator | Aminoethylsulphonic acid | Generator | b-Aminoethylsulfonate | Generator | b-Aminoethylsulfonic acid | Generator | b-Aminoethylsulphonate | Generator | b-Aminoethylsulphonic acid | Generator | beta-Aminoethylsulfonate | Generator | beta-Aminoethylsulphonate | Generator | beta-Aminoethylsulphonic acid | Generator | Β-aminoethylsulfonate | Generator | Β-aminoethylsulfonic acid | Generator | Β-aminoethylsulphonate | Generator | Β-aminoethylsulphonic acid | Generator | 1-Aminoethane-2-sulfonate | HMDB | 1-Aminoethane-2-sulfonic acid | HMDB | 2-Aminoethylsulfonate | HMDB | 2-Aminoethylsulfonic acid | HMDB | 2-Sulfoethylamine | HMDB | Taurine hydrochloride | HMDB | Taurine zinc salt (2:1) | HMDB | Taurine, monopotassium salt | HMDB | Taufon | HMDB | Tauphon | HMDB |
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Chemical Formula | C2H7NO3S |
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Average Molecular Weight | 125.147 |
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Monoisotopic Molecular Weight | 125.014663785 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 107-35-7 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) |
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InChI Key | XOAAWQZATWQOTB-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Organic sulfonic acids and derivatives |
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Sub Class | Organosulfonic acids and derivatives |
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Direct Parent | Organosulfonic acids |
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Alternative Parents | |
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Substituents | - Alkanesulfonic acid
- Sulfonyl
- Organosulfonic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Organosulfur compound
- Organonitrogen compound
- Primary aliphatic amine
- Amine
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Status | Detected and Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | |
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 300 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 80.7 mg/mL | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | Not Available |
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Spectra |
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Spectra | |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | - Blood
- Brain
- Epidermis
- Erythrocyte
- Fibroblasts
- Intestine
- Kidney
- Leukocyte
- Liver
- Longissimus Thoracis Muscle
- Mammary Gland
- Milk
- Neuron
- Pancreas
- Placenta
- Platelet
- Prostate Tissue
- Retina
- Ruminal Fluid
- Semimembranosus Muscle
- Testis
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Pathways | |
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Normal Concentrations |
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Blood | Detected and Quantified | 80 +/- 20 uM | Not Specified | Not Specified | Normal | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Blood | Detected and Quantified | 33-41 uM | Not Specified | Not Specified | Normal | | details | Blood | Detected and Quantified | 33-47 uM | Not Specified | Not Specified | Normal | | details | Brain | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Epidermis | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Erythrocyte | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Fibroblasts | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Intestine | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Kidney | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Leukocyte | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Liver | Detected and Quantified | 2243 +/- 1186 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Longissimus Thoracis Muscle | Detected and Quantified | 480 +/- 146 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Mammary Gland | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Mammary Gland | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 10 - 30 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 327 - 621 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 37 +/- 2 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 41 +/- 2 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 38 +/- 2 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 37 +/- 2 uM | Not Specified | Not Specified | Normal | | details | Neuron | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Pancreas | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Placenta | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Platelet | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Prostate Tissue | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Retina | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 8 +/- 7 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 1.07 +/- 0.007 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 36.2 +/- 0.01 uM | Not Specified | Not Specified | Normal | | details | Semimembranosus Muscle | Detected and Quantified | 844 +/- 301 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Testis | Detected and Quantified | 1510 +/- 296 nmol/g of tissue | Not Specified | Not Specified | Normal | | details |
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Abnormal Concentrations |
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Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | All Mycobacterium avium subsp. paratuberculosis-infected | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | High dose Mycobacterium avium subsp. paratuberculosis-infected | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Low dose Mycobacterium avium subsp. paratuberculosis-infected | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Mycobacterium avium subsp. paratuberculosis infection | | details |
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External Links |
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HMDB ID | HMDB0000251 |
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DrugBank ID | DB01956 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB003191 |
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KNApSAcK ID | C00048188 |
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Chemspider ID | 1091 |
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KEGG Compound ID | C00245 |
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BioCyc ID | TAURINE |
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BiGG ID | 34373 |
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Wikipedia Link | Taurine |
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METLIN ID | 31 |
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PubChem Compound | 1123 |
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PDB ID | Not Available |
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ChEBI ID | 15891 |
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References |
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Synthesis Reference | Hu, Libo; Zhu, Hui; Du, Da-Ming; Xu, Jiaxi. Efficient synthesis of taurine and structurally diverse substituted taurines from aziridines. Journal of Organic Chemistry (2007), 72(12), 4543-4546. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Klein MS, Almstetter MF, Schlamberger G, Nurnberger N, Dettmer K, Oefner PJ, Meyer HH, Wiedemann S, Gronwald W: Nuclear magnetic resonance and mass spectrometry-based milk metabolomics in dairy cows during early and late lactation. J Dairy Sci. 2010 Apr;93(4):1539-50. doi: 10.3168/jds.2009-2563. [PubMed:20338431 ]
- Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. [PubMed:28306241 ]
- Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. [PubMed:29291809 ]
- NA (1989). NRC. 1989. Recommended Dietary Allowances. 10th ed. Natl. Acad. Press, Washington, DC.. The National Academies Press.
- A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
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