Concept information
اصطلاح مرجح
(2R,4S,5R,6R) 5 استامیدو 2 [[(,3R,4R,,6S) 4 [(,,,5S,) 3 [(2S,,,,) [,4R5,, [(,,,,) [(,,,,) [(,,,) 5استامیدو کربوکسی هیدروکسی 6 [(1R,) 1,, تری پروکسیل] ( متیل) oxan yl]oxy [[(,,,) acetamido carboxy hydroxy [(,) ,, trihydroxypropyl] ]oxymethyl] , دی ] [[(,,,) [(,) ,, ] ]] , dihydroxyoxan ] hydroxymyloxy] یل] متوکسی] [(,) ,, پروپیل] اکسان کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C88H142N8O63
اینچی
- InChI=1S/C88H142N8O63/c1-23(104)89-45-31(112)9-85(81(133)134,156-69(45)53(120)35(116)13-97)141-20-42-57(124)68(52(75(132)144-42)96-30(8)111)152-76-49(93-27(5)108)60(127)65(39(17-101)145-76)150-79-63(130)73(58(125)43(148-79)21-142-86(82(135)136)10-32(113)46(90-24(2)105)70(157-86)54(121)36(117)14-98)153-77-50(94-28(6)109)61(128)66(40(18-102)146-77)151-80-64(131)74(59(126)44(149-80)22-143-87(83(137)138)11-33(114)47(91-25(3)106)71(158-87)55(122)37(118)15-99)154-78-51(95-29(7)110)62(129)67(41(19-103)147-78)155-88(84(139)140)12-34(115)48(92-26(4)107)72(159-88)56(123)38(119)16-100/h31-80,97-103,112-132H,9-22H2,1-8H3,(H,89,104)(H,90,105)(H,91,106)(H,92,107)(H,93,108)(H,94,109)(H,95,110)(H,96,111)(H,133,134)(H,135,136)(H,137,138)(H,139,140)/t31-,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-,85+,86+,87+,88+/m0/s1
اینچیکی
- BEKPJMSTCVCLEG-ZHPXLMOHSA-N
جرم
- 2320.097
جرم تکایزوتوپی
- 2318.81537
اسمایلٓ
- O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@H]4[C@@H](O)[C@H](O[C@H](O)[C@@H]4NC(=O)C)CO[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)O[C@@H]([C@@H]2O)CO[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)O[C@@H]1CO)[C@@H]7O[C@@H]([C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O[C@]9(O[C@H]([C@H](NC(=O)C)[C@@H](O)C9)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]8NC(=O)C)CO)[C@H]7O)CO[C@]%10(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%10)[C@H](O)[C@H](O)CO)C(O)=O
زیرمجموعه
- 2_STAR
مترادف مرتبط
- 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
- NeuAc(a2-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]a-GalNAc
- WURCS=2.0/4,10,9/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-2-4-4-4-4/a3-b1_a6-j2_b4-c1_c3-d1_c6-i2_d4-e1_e3-f1_e6-h2_f4-g2
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:149155
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