Concept information
اصطلاح مرجح
(2S,4S,5R,6R) 5 استامیدو 2 [(,3R,,5S,) [(2R,3S,4R,,6S) 6 [(,,,,) [[(,,,) [(,,,,) 3 [(,,,,) [(,,,,) 4 [(,,,) کربوکسی هیدروکسی 1,23 [( ,,,,) تری پروپیل] اکسان یل] اکسی ، دی ( متیل) ] ( ) [(,,,,) ,, متیلوکسان ] , . yl] [(,,,,) [(,,,,) , [[(,,,,) ,, ],, 26 ] ( ) ] ، ] متوکسی] ، ( ) ] ( ) ] ، [(1R,) ,, ] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C96H158N6O70
اینچی
- InChI=1S/C96H158N6O70/c1-22-49(122)61(134)65(138)86(150-22)148-21-42-72(58(131)45(82(143)152-42)99-26(5)114)161-83-46(100-27(6)115)59(132)70(38(17-109)157-83)162-88-67(140)77(57(130)41(160-88)20-149-91-80(63(136)53(126)34(13-105)155-91)167-84-47(101-28(7)116)60(133)71(39(18-110)158-84)163-89-68(141)78(55(128)36(15-107)153-89)171-95(93(144)145)9-30(118)43(97-24(3)112)74(169-95)51(124)32(120)11-103)166-92-81(64(137)54(127)35(14-106)156-92)168-85-48(102-29(8)117)76(165-87-66(139)62(135)50(123)23(2)151-87)73(40(19-111)159-85)164-90-69(142)79(56(129)37(16-108)154-90)172-96(94(146)147)10-31(119)44(98-25(4)113)75(170-96)52(125)33(121)12-104/h22-23,30-92,103-111,118-143H,9-21H2,1-8H3,(H,97,112)(H,98,113)(H,99,114)(H,100,115)(H,101,116)(H,102,117)(H,144,145)(H,146,147)/t22-,23-,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+,86+,87-,88+,89+,90+,91+,92-,95+,96+/m1/s1
اینچیکی
- MDOPJSCPJGVUML-FMVVKRFBSA-N
جرم
- 2516.292
جرم تکایزوتوپی
- 2514.89882
اسمایلٓ
- O1[C@@H](O[C@@H]2[C@@H](O[C@H]3[C@H](O)[C@H](O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]5CO[C@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)C)O)[C@H]3O)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@]%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]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)CO)O[C@@H]([C@@H](O)[C@@H]2O)CO)[C@H](NC(=O)C)[C@@H](O[C@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)C)[C@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%12O)CO)[C@H]1CO
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->4)-[6-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-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->3)-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)-[6-deoxy-alpha-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranose
- NeuAc(a2-3)Gal(b1-4)[D-Fuc(a1-3)]GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[D-Fuc(a1-6)]a-GlcNAc
- WURCS=2.0/7,13,12/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-6-7-4-2-6-7-5/a4-b1_a6-m1_b4-c1_c3-d1_c6-i1_d2-e1_e3-f1_e4-g1_g3-h2_i2-j1_j4-k1_k3-l2
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:146736
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