{"id":1550,"date":"2017-04-09T07:09:10","date_gmt":"2017-04-09T05:09:10","guid":{"rendered":"https:\/\/wissen.science-and-fun.de\/chemistry\/?p=1550"},"modified":"2017-04-29T08:13:18","modified_gmt":"2017-04-29T06:13:18","slug":"isoleucine-ile-i","status":"publish","type":"post","link":"https:\/\/wissen.science-and-fun.de\/chemistry\/2017\/04\/09\/isoleucine-ile-i\/","title":{"rendered":"Isoleucine (Ile, I)"},"content":{"rendered":"<h3>NMR- data [1] of argnine:<\/h3>\n<table border=\"1\">\n<tbody>\n<tr>\n<th rowspan=\"16\"><img data-recalc-dims=\"1\" loading=\"lazy\" decoding=\"async\" class=\"alignleft size-full wp-image-6106\" src=\"https:\/\/i0.wp.com\/wissen.science-and-fun.de\/wp-content\/uploads\/2014\/02\/isoleucin.png?resize=263%2C208&#038;ssl=1\" alt=\"Isoleucin\" width=\"263\" height=\"208\" \/><\/th>\n<th rowspan=\"2\" valign=\"top\">Atom<\/th>\n<th rowspan=\"2\" valign=\"top\">Atomtyp<\/th>\n<th colspan=\"3\">chemical shift [ppm]<sup>1<\/sup><\/th>\n<th rowspan=\"2\">Random Coil<br \/>\nchem. shift\u00a0<sup>3<\/sup><\/th>\n<th rowspan=\"2\">Random Coil<br \/>\nchem. shift\u00a0<sup>4<\/sup><\/th>\n<\/tr>\n<tr>\n<td><strong>average<\/strong><\/td>\n<td><strong>standard deviation<\/strong><\/td>\n<td><strong>entries<sup>2<\/sup><\/strong><\/td>\n<\/tr>\n<tr>\n<td>H<\/td>\n<td>H<\/td>\n<td>\u00a08.271<\/td>\n<td>\u00a01.073<\/td>\n<td>41937<\/td>\n<td>\u00a08.00<\/td>\n<td>\u00a08.06<\/td>\n<\/tr>\n<tr>\n<td>H\u03b1<\/td>\n<td>H<\/td>\n<td>\u00a04.178<\/td>\n<td>1.105<\/td>\n<td>32043<\/td>\n<td>\u00a04.17<\/td>\n<td>\u00a04.47<\/td>\n<\/tr>\n<tr>\n<td>H\u03b2<\/td>\n<td>H<\/td>\n<td>\u00a01.781<\/td>\n<td>\u00a00.426<\/td>\n<td>30277<\/td>\n<td>\u00a01.87<\/td>\n<td>\u00a01.85<\/td>\n<\/tr>\n<tr>\n<td>H\u03b312<\/td>\n<td>H<\/td>\n<td>\u00a01.261<\/td>\n<td>\u00a00.468<\/td>\n<td>27626<\/td>\n<td>\u00a01.45<\/td>\n<td>\u00a01.48<\/td>\n<\/tr>\n<tr>\n<td>H\u03b313<\/td>\n<td>H<\/td>\n<td>\u00a01.188<\/td>\n<td>\u00a00.503<\/td>\n<td>26587<\/td>\n<td>\u00a01.16<\/td>\n<td>\u00a01.16<\/td>\n<\/tr>\n<tr>\n<td>H\u03b32<\/td>\n<td>H<\/td>\n<td>\u00a00.767<\/td>\n<td>\u00a00.313<\/td>\n<td>28924<\/td>\n<td>\u00a00.91<\/td>\n<td>\u00a00.94<\/td>\n<\/tr>\n<tr>\n<td>H\u03b41<\/td>\n<td>H<\/td>\n<td>\u00a00.668<\/td>\n<td>\u00a00.347<\/td>\n<td>29445<\/td>\n<td>\u00a00.86<\/td>\n<td>\u00a00.86<\/td>\n<\/tr>\n<tr>\n<td>C<\/td>\n<td>C<\/td>\n<td>\u00a0175.791<\/td>\n<td>\u00a04.584<\/td>\n<td>26908<\/td>\n<td>\u00a0176.4<\/td>\n<td>\u00a0175.0<\/td>\n<\/tr>\n<tr>\n<td>C\u03b1<\/td>\n<td>C<\/td>\n<td>\u00a061.610<\/td>\n<td>\u00a02.747<\/td>\n<td>37083<\/td>\n<td>\u00a061.1<\/td>\n<td>\u00a058.7<\/td>\n<\/tr>\n<tr>\n<td>C\u03b2<\/td>\n<td>C<\/td>\n<td>\u00a038.605<\/td>\n<td>\u00a02.206<\/td>\n<td>38605<\/td>\n<td>\u00a038.8<\/td>\n<td>\u00a038.7<\/td>\n<\/tr>\n<tr>\n<td>C\u03b31<\/td>\n<td>C<\/td>\n<td>\u00a027.705<\/td>\n<td>\u00a02.033<\/td>\n<td>23803<\/td>\n<td>\u00a027.2<\/td>\n<td>\u00a026.9<\/td>\n<\/tr>\n<tr>\n<td>C\u03b32<\/td>\n<td>C<\/td>\n<td>\u00a017.560<\/td>\n<td>\u00a01.981<\/td>\n<td>25321<\/td>\n<td>\u00a017.4<\/td>\n<td>\u00a017.1<\/td>\n<\/tr>\n<tr>\n<td>C\u03b41<\/td>\n<td>C<\/td>\n<td>\u00a013.476<\/td>\n<td>\u00a02.418<\/td>\n<td>\u00a025751<\/td>\n<td>\u00a012.9<\/td>\n<td>\u00a012.7<\/td>\n<\/tr>\n<tr>\n<td>N<\/td>\n<td>N<\/td>\n<td>\u00a0121.435<\/td>\n<td>\u00a06.201<\/td>\n<td>\u00a039554<\/td>\n<td>\u00a0119.9<\/td>\n<td>\u00a0121.7<\/td>\n<\/tr>\n<tr>\n<th>proportion of proteines<\/th>\n<th colspan=\"2\">pK<sub>2<\/sub> COOH<\/th>\n<th>pK<sub>1<\/sub>COOH<\/th>\n<th colspan=\"2\">isoelectrical point<\/th>\n<th>pK<sub>1<\/sub>NH<sub>2<\/sub><\/th>\n<th>pK<sub>2<\/sub>NH<sub>2<\/sub><\/th>\n<\/tr>\n<tr>\n<td>\u00a04.6%<\/td>\n<td colspan=\"2\">\u00a0&#8211;<\/td>\n<td>\u00a02.32<\/td>\n<td colspan=\"2\">\u00a05.94<\/td>\n<td>\u00a09.76<\/td>\n<td>\u00a0&#8211;<\/td>\n<\/tr>\n<tr>\n<th>CAS- number<\/th>\n<th colspan=\"2\">molar mass<\/th>\n<th>formula<\/th>\n<th colspan=\"2\">density<\/th>\n<th>melting point<\/th>\n<th>solubility<\/th>\n<\/tr>\n<tr>\n<td>\n<ul>\n<li>73-32-5\u00a0<small>L<\/small>-Isoleucine<\/li>\n<li>319-78-8\u00a0<small>D<\/small>-Isoleucine<\/li>\n<li>443-79-8\u00a0<small>DL<\/small>-Isoleucine<\/li>\n<li>1509-34-8\u00a0<small>L<\/small>&#8211;<i>allo<\/i>-Isoleucine<\/li>\n<li>1509-35-9\u00a0<small>D<\/small>&#8211;<i>allo<\/i>-Isoleucine<\/li>\n<\/ul>\n<\/td>\n<td colspan=\"2\">\u00a0131,17 g\u00b7mol<sup>\u22121<\/sup><\/td>\n<td>\u00a0C<sub>6<\/sub>H<sub>13<\/sub>NO<sub>2<\/sub><\/td>\n<td colspan=\"2\"><\/td>\n<td>\u00a0284\u00b0C (decomposition)<\/td>\n<td>good in waterr: 40\u00a0g\u00b7l<sup>\u22121<\/sup>\u00a0(20\u00a0\u00b0C,\u00a0<small>L<\/small>-Isoleucine)<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<hr \/>\n<p><sup>1<\/sup> Depending on the type of atom it was <sup>1<\/sup>H, <sup>13<\/sup>C or <sup>15<\/sup>N chemical shift. <sup>1<\/sup>H und <sup>13<\/sup>C relative to TMS and <sup>15<\/sup>N relative to liquid ammonia<\/p>\n<p><sup>2<\/sup> Number of individual chemical shift data for averaging according to [2]<\/p>\n<p><sup>3<\/sup> with Alanine as neighborhood in the hexapeptide Gly-Gly-X-Ala-Gly-Gly [3]<\/p>\n<p><sup>4<\/sup> with Proline as neighborhood in the hexapeptide Gly-Gly-X-Pro-Gly-Gly [3]<\/p>\n<hr>\n<h3>3D- Modell<\/h3>\n<div style=\"height: 400px; width: 400px; border-style: solid; position: relative;\" class='viewer_3Dmoljs' data-href='https:\/\/wissen.science-and-fun.de\/molekel\/isoleucin.sdf' data-backgroundcolor='0xffffff' data-style='stick' data-typ='sdf'><\/div>\n<p><\/p>\n<p>sources:<\/p>\n<p>[1] &#8220;BioMagResBank&#8221;, Eldon L. Ulrich; Hideo Akutsu; Jurgen F. Doreleijers; Yoko Harano; Yannis E. Ioannidis; Jundong Lin; Miron Livny; Steve Mading; Dimitri Maziuk; Zachary Miller; Eiichi Nakatani; Christopher F. Schulte; David E. Tolmie; R. Kent Wenger; Hongyang Yao; John L. Markley; Nucleic Acids Research 36, D402-D408 (2008) doi: 10.1093\/nar\/gkm957<\/p>\n<p>[2] http:\/\/www.bmrb.wisc.edu\/ last visit march 2017<\/p>\n<p>[3] David S. Wishart, Colin G. Bigam, Arne Holm, Robert S. Hodges, Brian D. Sykes; Journal of Biomolecular NMR<br \/>\nJanuary 1995, Volume 5, Issue 1, pp 67-81 doi:10.1007\/BF00227471<\/p>\n<p>[4] Wikipedia\u00a0http:\/\/de.wikipedia.org\/wiki\/Aminos%C3%A4uren (last visit january 2014)<\/p>\n<p>[5] Wikipedia http:\/\/de.wikipedia.org\/wiki\/Asparagin\u00a0(last visit january 2014)<\/p>\n<p>3D Mol: Nicholas Rego and David Koes<br \/>\n3Dmol.js: molecular visualization with WebGL<br \/>\nBioinformatics (2015) 31 (8): 1322-1324 doi:10.1093\/bioinformatics\/btu829<\/p>\n","protected":false},"excerpt":{"rendered":"<p>NMR- data [1] of argnine: Atom Atomtyp chemical shift [ppm]1 Random Coil chem. shift\u00a03 Random Coil chem. shift\u00a04 average standard deviation entries2 H H \u00a08.271 \u00a01.073 41937 \u00a08.00 \u00a08.06 H\u03b1 H \u00a04.178 1.105 32043 \u00a04.17 \u00a04.47 H\u03b2 H \u00a01.781 \u00a00.426 30277 \u00a01.87 \u00a01.85 H\u03b312 H \u00a01.261 \u00a00.468 27626 \u00a01.45 \u00a01.48 H\u03b313 H \u00a01.188 \u00a00.503 26587 &hellip; <\/p>\n<p><a class=\"more-link btn\" href=\"https:\/\/wissen.science-and-fun.de\/chemistry\/2017\/04\/09\/isoleucine-ile-i\/\">Continue reading<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"wprm-recipe-roundup-name":"","wprm-recipe-roundup-description":"","jetpack_post_was_ever_published":false,"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":true,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2}},"categories":[5,4],"tags":[98,108,99],"class_list":["post-1550","post","type-post","status-publish","format-standard","hentry","category-nmr","category-spectroscopy","tag-bio-nmr","tag-isoleucine","tag-nmr","item-wrap"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.3 - 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