Concept information
اصطلاح مرجح
(2S,4S,5R,6R) 5 استامیدو 2 [(2R,3R,,5S,) [(,,4R,) [[(,,,,) 3 [(,,,4) [(,,,,) acetamido [(,,,,) , دی هیدروکسی 6 ( متیل) [(,3S,,,6S) ,, تری متیلوکسی اکسی [(,,,,) ,, متیلوکسان یل] اکسیوکسان ] [[(,,,,) ( ) [(,,3R6, , ,, ,,, ,, ( ) oxan yl]oxyoxan ] oxymethyl] , dihydroxyoxan ]oxy (hydroxymethyl) [(,,,,) ,, ]oxyoxanymethyl]4yooxy3 , ( ) اکسان ] [(1R,) 1,, پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C85H141N5O61
اینچی
- InChI=1S/C85H141N5O61/c1-19-42(105)52(115)57(120)77(131-19)143-65-34(16-97)140-76(41(90-26(8)102)69(65)147-83-72(56(119)47(110)30(12-93)137-83)149-79-59(122)54(117)44(107)21(3)133-79)148-70-50(113)36(18-129-74-38(87-23(5)99)51(114)63(32(14-95)138-74)142-80-60(123)55(118)46(109)29(11-92)135-80)141-81(61(70)124)144-64-33(15-96)139-75(40(89-25(7)101)68(64)146-78-58(121)53(116)43(106)20(2)132-78)130-17-35-49(112)66(39(73(126)134-35)88-24(6)100)145-82-62(125)71(48(111)31(13-94)136-82)151-85(84(127)128)9-27(103)37(86-22(4)98)67(150-85)45(108)28(104)10-91/h19-21,27-83,91-97,103-126H,9-18H2,1-8H3,(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,127,128)/t19-,20-,21-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51+,52+,53+,54+,55-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-,71-,72+,73?,74+,75+,76-,77-,78-,79-,80-,81-,82-,83-,85-/m0/s1
اینچیکی
- HLUVHKTYYHZDFD-GMICASHMSA-N
جرم
- 2209.037
جرم تکایزوتوپی
- 2207.80849
اسمایلٓ
- O([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)OC[C@H]4OC(O)[C@H](NC(=O)C)[C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]5O)CO)[C@H]4O)O[C@@H]([C@@H]1O)CO[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO)[C@H](O)[C@H]7NC(=O)C)CO)[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@H]([C@@H](O)[C@@H](O)[C@@H]%10O)C)[C@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O[C@@H]%12O[C@H]([C@@H](O)[C@@H](O)[C@@H]%12O)C)CO)[C@H]9NC(=O)C)CO
زیرمجموعه
- 2_STAR
مترادف مرتبط
- 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
- Fuc(a1-2)Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)[Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[NeuAc(a2-3)Gal(b1-3)]GalNAc
- WURCS=2.0/5,12,11/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-5-2-4-2-5-5-4-2/a3-b1_a6-d1_b3-c2_d3-e1_d4-f1_f3-g1_f6-k1_g3-h1_g4-j1_h2-i1_k4-l1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148651
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