Concept information
اصطلاح مرجح
(2R,4S,5R,6R) 5 استامیدو 2 [[(,3R,,,6S) 6 [(,3S,4R,,) [(2S,,,5S,) [[(,,,) [(,,,,) 3 [(,,,,) 4 [(,,,,) [(,,,) کربوکسی هیدروکسی 1,23 تری پروپیل] اکسان یل] اکسی ، دی ( متیل) ] [[(,,,) [(1R,) ,,] اتیل پی yl] ، ( ) ] [(,,,,) [(,,,,) 5استامیدو , ( 44 ) ( ) ] ، ] متوکسی] ، ( ) ] ( ) ] ،، ، ، ، ، ،، ] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C95H155N7O70
اینچی
- InChI=1S/C95H155N7O70/c1-23(112)96-45-30(119)8-93(90(144)145,169-74(45)52(125)33(122)11-103)151-21-43-57(130)64(137)67(140)85(161-43)163-71-40(18-110)158-83(50(63(71)136)101-28(6)117)167-79-65(138)55(128)36(14-106)155-88(79)150-20-42-60(133)77(68(141)86(160-42)164-72-41(19-111)157-82(49(62(72)135)100-27(5)116)162-70-39(17-109)153-81(143)48(61(70)134)99-26(4)115)166-89-80(66(139)56(129)37(15-107)156-89)168-84-51(102-29(7)118)73(59(132)44(159-84)22-152-94(91(146)147)9-31(120)46(97-24(2)113)75(170-94)53(126)34(123)12-104)165-87-69(142)78(58(131)38(16-108)154-87)172-95(92(148)149)10-32(121)47(98-25(3)114)76(171-95)54(127)35(124)13-105/h30-89,103-111,119-143H,8-22H2,1-7H3,(H,96,112)(H,97,113)(H,98,114)(H,99,115)(H,100,116)(H,101,117)(H,102,118)(H,144,145)(H,146,147)(H,148,149)/t30-,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-,86-,87-,88-,89+,93+,94+,95-/m0/s1
اینچیکی
- XQAJEMCZBHWCAF-JSYSIWPOSA-N
جرم
- 2515.264
جرم تکایزوتوپی
- 2513.87842
اسمایلٓ
- O([C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)CO)[C@H]1NC(=O)C)CO[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]5[C@@H](O[C@@H]6[C@H](O)[C@@H](O[C@@H]([C@H]6O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)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)[C@H](O)[C@H]8NC(=O)C)CO)CO)O[C@H]%11[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%11CO)O[C@H]%12[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%12CO)O)O[C@@H]([C@@H](O)[C@@H]5O)CO
زیرمجموعه
- 2_STAR
مترادف مرتبط
- 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-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->2)-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(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)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]/1-1-2-3-1-4-5-5-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e3-f1_e6-h2_f3-g2_i2-j1_j4-k1_k6-l2
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148613
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