Concept information
اصطلاح مرجح
(2S,4S,5R,6R) 5 استامیدو 2 [(,3R,,5S,) [(2R,3S,4R,,6S) 6 [(,,,,) [(,,,) [(,,,,) 3 [(,,,,) [(,,,,) 4 [(,,,) کربوکسی ,, [(11,,) trihydroxypropyl] oxan yl] oxy هیدروکسی ( متیل) [( ، 3r ، 4s ، 5r ، 6r) ،، تری ( ) اگزان ] اکسیوکسن ] اکسی ( ) ) ( ) اکسان یل] ] [(,,,,) [(,,,,) 5استامیدو , دی ( ) ] ] ، ( ) ] ( ) ] ، ( ) ] [] ، ، اسید کربوکسیلیک
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C90H148N6O67
اینچی
- InChI=1S/C90H148N6O67/c1-21(108)91-41-27(114)7-89(87(137)138,160-70(41)47(118)29(116)9-97)162-73-52(123)34(14-102)144-83(63(73)134)154-67-37(17-105)149-80(46(57(67)128)96-26(6)113)159-76-60(131)51(122)33(13-101)146-86(76)157-72-53(124)40(151-82(62(72)133)153-66-36(16-104)147-78(44(55(66)126)94-24(4)111)152-65-35(15-103)142-77(136)43(54(65)125)93-23(3)110)20-141-85-75(59(130)50(121)32(12-100)145-85)158-79-45(95-25(5)112)56(127)68(38(18-106)148-79)155-84-64(135)74(69(39(19-107)150-84)156-81-61(132)58(129)49(120)31(11-99)143-81)163-90(88(139)140)8-28(115)42(92-22(2)109)71(161-90)48(119)30(117)10-98/h27-86,97-107,114-136H,7-20H2,1-6H3,(H,91,108)(H,92,109)(H,93,110)(H,94,111)(H,95,112)(H,96,113)(H,137,138)(H,139,140)/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+,72-,73-,74+,75-,76-,77+,78-,79-,80-,81-,82-,83-,84-,85-,86+,89-,90-/m0/s1
اینچیکی
- CXBKSMLKXMXERB-BMNHUWSGSA-N
جرم
- 2386.149
جرم تکایزوتوپی
- 2384.83583
اسمایلٓ
- O([C@H]1[C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)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](OC[C@H]5O[C@@H](O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO)O)[C@@H](O)[C@@H](O[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@]%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]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO)[C@@H]5O)O[C@@H]([C@@H](O)[C@@H]4O)CO)[C@@H]1O)CO)[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
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)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
- NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)[Gal(b1-4)]Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc
- WURCS=2.0/5,12,11/[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]/1-1-2-3-1-4-5-3-1-4-5-4/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_i4-j1_j3-k2_j4-l1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150521
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