Concept information
اصطلاح مرجح
(2S,4S,5R,6R) 5 استامیدو 2 [(,3R,,5S,) [(2R,3S,4R,,6S) 6 [(,,,,) [(,,,) [(,,,,) acetamido [(,,,) 4, dihydroxy [[(,,,,) 3,, تری هیدروکسی متیلوکسان هیدروکسان ] اکسی . ( متیل) oxan yl]oxy [[(,,,,) [(,,,,) [(,,,,) , دی ( , ) ( ) اکسان یل] [[(,,,,) [(,,,,) , ( ) ] , ] ] ] ، ] ، ( ) ] ( ) اگزان ایل] ، ( ) ، ) 1،، پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C93H154N6O68
اینچی
- InChI=1S/C93H154N6O68/c1-21-47(117)62(132)66(136)85(146-21)144-20-40-72(59(129)42(80(140)147-40)95-23(3)110)158-83-45(98-26(6)113)60(130)70(36(16-107)154-83)159-87-68(138)75(162-91-79(65(135)53(123)34(14-105)153-91)165-84-46(99-27(7)114)61(131)71(37(17-108)155-84)160-88-69(139)76(54(124)35(15-106)150-88)167-93(92(141)142)8-28(115)41(94-22(2)109)73(166-93)48(118)29(116)9-100)56(126)39(157-87)18-143-86-67(137)74(161-90-78(64(134)52(122)33(13-104)152-90)164-82-44(97-25(5)112)58(128)50(120)31(11-102)149-82)55(125)38(156-86)19-145-89-77(63(133)51(121)32(12-103)151-89)163-81-43(96-24(4)111)57(127)49(119)30(10-101)148-81/h21,28-91,100-108,115-140H,8-20H2,1-7H3,(H,94,109)(H,95,110)(H,96,111)(H,97,112)(H,98,113)(H,99,114)(H,141,142)/t21-,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-,87-,88-,89-,90+,91+,93-/m0/s1
اینچیکی
- CWGRYMSYRDVVOR-DZVDZVPPSA-N
جرم
- 2444.229
جرم تکایزوتوپی
- 2442.87769
اسمایلٓ
- O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)O)O[C@@H]([C@H]1O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7NC(=O)C)CO)CO)[C@@H]5O)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](O)[C@H]9NC(=O)C)CO)CO)[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)CO
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)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-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(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
- WURCS=2.0/7,13,12/[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][a1221m-1a_1-5]/1-2-3-4-2-5-6-4-4-2-4-2-7/a4-b1_a6-m1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h3-i1_h6-k1_i2-j1_k2-l1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:147924
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