Concept information
اصطلاح مرجح
(2R,4S,5R,6R) 5 استامیدو 2 [[(,3R,,,6S) 6 [(,3S,4R,,) [(2S,,,5S,) [[(,,,) [(,,,,) acetamido [(,,,) 4, dihydroxy [[(,,,,) 3,, تری هیدروکسی متیلوکسان هیدروکسان ] اکسی . ( متیل) oxan yl]oxy [(,,,,) [(,,,,) [(,,,,) hydroxy ( سولفوکسی ) ( ) اکسان یل] ، دی ( ) ] ، ] متوکسی] ، ( ) ] ، ، ] ] [(1R,) 1,, پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C81H134N6O61S
اینچی
- InChI=1S/C81H134N6O61S/c1-19-43(103)54(114)58(118)75(130-19)127-17-36-64(49(109)38(70(121)131-36)83-21(3)96)141-71-39(84-22(4)97)51(111)63(32(14-93)134-71)143-77-60(120)67(144-79-69(57(117)46(106)29(11-90)133-79)146-74-40(85-23(5)98)50(110)61(30(12-91)135-74)140-72-42(87-25(7)100)53(113)65(33(15-94)137-72)148-149(124,125)126)48(108)34(138-77)16-128-78-68(56(116)45(105)28(10-89)132-78)145-73-41(86-24(6)99)52(112)62(31(13-92)136-73)142-76-59(119)55(115)47(107)35(139-76)18-129-81(80(122)123)8-26(101)37(82-20(2)95)66(147-81)44(104)27(102)9-88/h19,26-79,88-94,101-121H,8-18H2,1-7H3,(H,82,95)(H,83,96)(H,84,97)(H,85,98)(H,86,99)(H,87,100)(H,122,123)(H,124,125,126)/t19-,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
- HLXTYWMUUAJEEU-FTMYGWHZSA-N
جرم
- 2200.000
جرم تکایزوتوپی
- 2198.72886
اسمایلٓ
- S(O[C@@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O[C@@H]4[C@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]6CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)O)O[C@@H]([C@H]4O)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)O[C@@H]([C@@H](O)[C@@H]3O)CO)O[C@@H]2CO)O[C@@H]1CO)(O)(=O)=O
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->6)-[2-acetamido-2-deoxy-4-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose
- NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[GalNAc4S(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
- WURCS=2.0/8,11,10/[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_2*NCC/3=O_4*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-4-2-6-7-8/a4-b1_a6-k1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_h4-i1_i6-j2
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:149011
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