Concept information
اصطلاح مرجح
(2S,4S,5R,6R) 5 استامیدو 2 [(,3R,,5S,) [(2R,3S,4R,,6S) 6 [(,,,,) [(,,,,) [(,,,,) [(,,,,) [(,,,,) [(,,,,) [(,,,,4D) (هیدروکسی متیل) [(,,,,) 4,, تری ( ) oxan 3 yl]oxyoxan ]oxy hydroxy (hydroxymethyl) ] , دی ( اکسی اتیل) ( ) اکسان یل] ، ( ) ] ( ) ایل] ، ( ) ] ( ) ( ) ،، متیلوکسان ] اکسیکسان ] ، ( ) ] [(1R,) 1،، پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C85H141N5O63
اینچی
- InChI=1S/C85H141N5O63/c1-19-42(109)52(119)55(122)78(131-19)147-67-41(90-24(6)106)77(141-36(18-101)65(67)146-83-60(127)72(48(115)31(13-96)137-83)153-85(84(129)130)7-25(107)37(86-20(2)102)66(152-85)43(110)26(108)8-91)151-71-47(114)30(12-95)135-81(59(71)126)144-63-35(17-100)139-75(39(51(63)118)88-22(4)104)149-69-45(112)28(10-93)133-79(57(69)124)142-61-33(15-98)138-74(38(49(61)116)87-21(3)103)148-68-44(111)27(9-92)134-80(56(68)123)143-62-34(16-99)140-76(40(50(62)117)89-23(5)105)150-70-46(113)29(11-94)136-82(58(70)125)145-64-32(14-97)132-73(128)54(121)53(64)120/h19,25-83,91-101,107-128H,7-18H2,1-6H3,(H,86,102)(H,87,103)(H,88,104)(H,89,105)(H,90,106)(H,129,130)/t19-,25-,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-,80-,81-,82-,83-,85-/m0/s1
اینچیکی
- KQXJBURXPKKHLZ-IRXPNVPTSA-N
جرم
- 2241.035
جرم تکایزوتوپی
- 2239.79832
اسمایلٓ
- O1[C@@H](O[C@@H]2[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](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]6[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO)O[C@@H]8[C@@H](O)[C@@H](O[C@@H]([C@@H]8O)CO)O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@@H]9CO)O)O[C@@H]([C@@H]6O)CO)O[C@@H]5CO)O[C@@H]([C@@H]4O)CO)O[C@@H]([C@@H]2O)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]%10O[C@H]([C@@H](O)[C@@H](O)[C@@H]%10O)C)[C@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O[C@]%12(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%12)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%11O)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-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
- NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)b-Glc
- WURCS=2.0/5,12,11/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-2-3-2-3-4-2-5/a4-b1_b3-c1_c4-d1_d3-e1_e4-f1_f3-g1_g4-h1_h3-i1_i3-j1_i4-k1_k3-l2
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150694
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