Concept information
اصطلاح مرجح
(2R,4S,5R,6R) 5 استامیدو 2 [[(,3R,,,6S) 6 [(,3S,4R,,) [(,,,5S,) [(2S,,,,) [(,,,,) [(,,,,) 4, دی هیدروکسی ( متیل) اکسان 3 yl]اکسی ( ) [[(,] [(,,,,) acetamido , dihydroxy (hydroxymethyl)oxan ]oxy , () ]oxymethyl] , dihydroxyoxan ] ,4Rami ( ) [(,,,,) ,, تری ( ) ]oxyoxan ] ( ) ] ، ، یل] متوکسی] [(1R,) 1,, پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C81H134N6O59
اینچی
- InChI=1S/C81H134N6O59/c1-19(97)82-37-25(103)7-81(80(124)125,146-66(37)43(105)26(104)8-88)127-18-36-47(109)55(117)58(120)76(137-36)141-63-32(14-94)134-74(42(53(63)115)87-24(6)102)145-69-59(121)65(139-73-41(86-23(5)101)51(113)62(31(13-93)133-73)140-75-57(119)54(116)45(107)28(10-90)130-75)34(16-96)135-79(69)143-67-48(110)35(17-126-78-68(56(118)46(108)29(11-91)131-78)144-71-39(84-21(3)99)49(111)44(106)27(9-89)129-71)136-77(60(67)122)142-64-33(15-95)132-72(40(52(64)114)85-22(4)100)138-61-30(12-92)128-70(123)38(50(61)112)83-20(2)98/h25-79,88-96,103-123H,7-18H2,1-6H3,(H,82,97)(H,83,98)(H,84,99)(H,85,100)(H,86,101)(H,87,102)(H,124,125)/t25-,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
- ZTPVWYWDTYXRGI-KHWCDTPDSA-N
جرم
- 2135.946
جرم تکایزوتوپی
- 2134.76696
اسمایلٓ
- O([C@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O)[C@@H]1O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)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](O)[C@H]4NC(=O)C)CO)CO)[C@@H]7[C@H](O)[C@@H](O[C@@H]([C@H]7O)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)O[C@H]%10[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%10CO)O[C@H]%11[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%11CO)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)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[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(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc
- WURCS=2.0/5,11,10/[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]/1-1-2-3-1-4-5-1-4-3-1/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154641
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