Concept information
اصطلاح مرجح
(2R,4S,5R,6R) 5 استامیدو 2 [[(,3R,,,6S) 6 [(,3S,4R,,) [(,,,5S,) [(2S,,,,) [(,,,,) [(,,,) 4, دی هیدروکسی ( متیل) اکسان 3 ایل] اکسی ( ) یل] ,,,4Ra2 , ( ) ] [[(,,,,) [(,,,,) acetamido ( ) [(,,,,,) ( ) ] ] ، ( ) ] ] ] ، ( ) ] ، تری ] متوکسی] [(1R,) 1,, پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C81H134N6O59
اینچی
- InChI=1S/C81H134N6O59/c1-19(97)82-37-25(103)7-81(80(124)125,146-66(37)43(105)26(104)8-88)127-18-35-48(110)55(117)59(121)76(136-35)140-63-33(15-95)135-74(42(53(63)115)87-24(6)102)145-69-57(119)47(109)30(12-92)132-79(69)143-67-60(122)77(141-64-34(16-96)133-72(40(51(64)113)85-22(4)100)138-61-31(13-93)128-70(123)38(50(61)112)83-20(2)98)137-36(65(67)142-71-39(84-21(3)99)49(111)44(106)27(9-89)129-71)17-126-78-68(56(118)46(108)29(11-91)131-78)144-73-41(86-23(5)101)52(114)62(32(14-94)134-73)139-75-58(120)54(116)45(107)28(10-90)130-75/h25-79,88-96,103-123H,7-18H2,1-6H3,(H,82,97)(H,83,98)(H,84,99)(H,85,100)(H,86,101)(H,87,102)(H,124,125)/t25-,26+,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+,81+/m0/s1
اینچیکی
- MXBGFRHCLRBOTM-GGCLRECCSA-N
جرم
- 2135.946
جرم تکایزوتوپی
- 2134.76696
اسمایلٓ
- O([C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[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](NC(=O)C)C(O[C@@H]4CO)O)[C@H]1O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO)[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO[C@]%11(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%11)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]9NC(=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)-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose
- NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAc
- WURCS=2.0/6,11,10/[a2122h-1x_1-5_2*NCC/3=O][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]/1-2-3-4-2-5-6-2-4-2-5/a4-b1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_e4-f1_f6-g2_i2-j1_j4-k1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:153321
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