Concept information
اصطلاح مرجح
(2R,4S,5R,6R) 5 استامیدو 2 [[(,3R,,,6S) 6 [(,3S,4R,,) [(,,,5S,) [(2S,,,,) [(,,,,) [(,,,,) 4, دی هیدروکسی ( متیل) اکسان 3 yl]اکسی ( ) [[(,] [(,,,,) acetamido hydroxy (hydroxymethyl) [(,,,,) ,, تری ( )oxan ]oxyoxan ]oxy [,4Rmi ( ) [(,,,,) ,, ( ) ] ]oxymethyl] , dihydroxyoxan ]] , dihydroxy dihydroxyoxy , ( ) یل] ( ) ] ،، ایل] متوکسی] [(1R,) 1،، پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C87H144N6O64
اینچی
- InChI=1S/C87H144N6O64/c1-20(103)88-39-26(109)7-87(86(133)134,157-71(39)45(111)27(110)8-94)137-19-38-49(115)59(125)64(130)82(147-38)152-69-34(15-101)145-79(44(56(69)122)93-25(6)108)156-74-60(126)48(114)30(11-97)141-85(74)154-72-51(117)37(146-83(65(72)131)153-70-35(16-102)143-77(42(54(70)120)91-23(4)106)149-66-31(12-98)138-75(132)40(52(66)118)89-21(2)104)18-136-84-73(155-78-43(92-24(5)107)55(121)68(33(14-100)144-78)151-81-63(129)58(124)47(113)29(10-96)140-81)61(127)50(116)36(148-84)17-135-76-41(90-22(3)105)53(119)67(32(13-99)142-76)150-80-62(128)57(123)46(112)28(9-95)139-80/h26-85,94-102,109-132H,7-19H2,1-6H3,(H,88,103)(H,89,104)(H,90,105)(H,91,106)(H,92,107)(H,93,108)(H,133,134)/t26-,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-,84-,85+,87+/m0/s1
اینچیکی
- YZHHFKYNSSIPNK-MFEFVXMTSA-N
جرم
- 2298.087
جرم تکایزوتوپی
- 2296.81978
اسمایلٓ
- O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O)[C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5NC(=O)C)CO)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](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO[C@]%12(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%12)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%10NC(=O)C)CO)CO
زیرمجموعه
- 2_STAR
مترادف مرتبط
- 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->2)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
- NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc
- WURCS=2.0/5,12,11/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-1-2-3-1-4-5-3-1-4-1-4/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_h6-k1_i4-j1_k4-l1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:146660
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