Concept information
اصطلاح مرجح
(2R,4S,5R,6R) 5 استامیدو 2 [[(,3S,,,) 4 [(2S,3R,4R,5S,) 3 acetamido [(,,,,) 6 [[(,,,,,,,, ,,,, ,,,, ,,,, ,,,. (هیدروکسی متیل) اکسان یل] اکسی ] [(,,,,) [(,,,,) , دی ( ) [(,,,,,6S) yl]oxyoxan ]oxy hydroxy (hydroxymethyl) oxan ] , dihydroxyoxan ] () ] [(,,,) [[R,4R3,3R3,R3,4R2 [(,,,,) , ( ) [(,,,,) ,, تری متیلوکسان ] اکسیوکسان ] ] ] ، ] متوکسی] [(1R,) 1,, پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C87H144N6O62
اینچی
- InChI=1S/C87H144N6O62/c1-20-45(109)58(122)62(126)80(136-20)153-73-60(124)49(113)31(12-96)141-84(73)148-67-34(15-99)143-77(41(56(67)120)90-24(5)103)133-17-36-52(116)68(43(75(130)138-36)92-26(7)105)149-83-65(129)72(54(118)38(146-83)19-135-87(86(131)132)9-28(107)39(88-22(3)101)70(155-87)47(111)29(108)10-94)151-78-42(91-25(6)104)57(121)66(35(16-100)144-78)147-82-64(128)71(53(117)37(145-82)18-134-76-40(89-23(4)102)55(119)48(112)30(11-95)139-76)152-79-44(93-27(8)106)69(51(115)33(14-98)140-79)150-85-74(61(125)50(114)32(13-97)142-85)154-81-63(127)59(123)46(110)21(2)137-81/h20-21,28-85,94-100,107-130H,9-19H2,1-8H3,(H,88,101)(H,89,102)(H,90,103)(H,91,104)(H,92,105)(H,93,106)(H,131,132)/t20-,21-,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-,84-,85-,87+/m0/s1
اینچیکی
- XGFZXTZPMHFUNP-HECHWMAFSA-N
جرم
- 2266.089
جرم تکایزوتوپی
- 2264.82996
اسمایلٓ
- O([C@H]1[C@@H](O)[C@H](O[C@@H](O[C@H]2[C@@H](O)[C@H](OC(O)[C@@H]2NC(=O)C)CO[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H](O)[C@H]3NC(=O)C)CO)[C@@H]1O)CO[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O[C@@H]%11O[C@H]([C@@H](O)[C@@H](O)[C@@H]%11O)C)CO)[C@H]9NC(=O)C)CO)[C@H]8O)CO[C@@H]%12O[C@@H]([C@@H](O)[C@H](O)[C@H]%12NC(=O)C)CO)[C@H](O)[C@H]7NC(=O)C)CO
زیرمجموعه
- 2_STAR
مترادف مرتبط
- 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
- Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc
- WURCS=2.0/5,12,11/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-2-4-3-5-3-2-4/a3-b1_a6-j1_b3-c1_b6-i2_c4-d1_d3-e1_d6-h1_e3-f1_f2-g1_j4-k1_k2-l1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154557
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