Concept information
اصطلاح مرجح
(2S,4S,5R,6R) 5 استامیدو 2 [(2R,3R,,5S,) [(,,4R,,) 3 [(,3S,,,6S) 4 [(,, ,) [(,,,) [(,,,) 6 [(1S,) [(,,,) 5استامیدو کربوکسی هیدروکسی [(1R,) 1,, تری پروپیل]oxan yl3] yl] اکسی ، دی ] یل] ( متیل) [(,,,,) ,, ( ) اکسان yl5 ( ) ] ، ( ) ] [(,) [(,,,) [(,) ,, ، ] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C81H130N6O61
اینچی
- InChI=1S/C81H130N6O61/c1-21(97)82-41-27(103)7-77(72(122)123,142-61(41)47(110)32(108)12-88)139-36(16-92)51(114)63-43(84-23(3)99)29(105)9-79(144-63,74(126)127)141-38(18-94)53(116)65-45(86-25(5)101)31(107)11-81(146-65,76(130)131)148-67-57(120)71(136-58-39(19-95)132-68(121)55(118)54(58)117)135-40(20-96)59(67)137-69-46(87-26(6)102)60(49(112)34(14-90)133-69)138-70-56(119)66(50(113)35(15-91)134-70)147-80(75(128)129)10-30(106)44(85-24(4)100)64(145-80)52(115)37(17-93)140-78(73(124)125)8-28(104)42(83-22(2)98)62(143-78)48(111)33(109)13-89/h27-71,88-96,103-121H,7-20H2,1-6H3,(H,82,97)(H,83,98)(H,84,99)(H,85,100)(H,86,101)(H,87,102)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)/t27-,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-,77+,78+,79+,80-,81-/m0/s1
اینچیکی
- YUUOQYGNRQVTKE-XREIPCNMSA-N
جرم
- 2163.912
جرم تکایزوتوپی
- 2162.72549
اسمایلٓ
- O([C@H]1[C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)CO)C(O)=O)[C@H]3O)CO)[C@H]2NC(=O)C)CO)[C@H](O[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]6CO)O)[C@@H]1O)CO)[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O[C@]8(O[C@H]([C@H](NC(=O)C)[C@@H](O)C8)[C@H](O)[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)CO)C(O)=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->8)-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-beta-D-galacto-hexopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
- NeuAc(a2-8)NeuAc(a2-3)Gal(b1-3)GalNAc(b1-4)[NeuAc(a2-8)NeuAc(a2-8)NeuAc(a2-3)]Gal(b1-4)b-Glc
- WURCS=2.0/4,9,8/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-3-3-4-2-3-3/a4-b1_b3-c2_b4-f1_c8-d2_d8-e2_f3-g1_g3-h2_h8-i2
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148650
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