Concept information
اصطلاح مرجح
(2S,4S,5R,6R) 5 استامیدو 2 [(,3R,,5S,) [(2R,3S,4R,,6S) 6 [(,,,,) [[(,,,) [(,,,,) [(,,,,) 5استامیدو 4, دی هیدروکسی ( متیل) اکسان 3 yl]اکسی ( ) [(,, ] , [(,,,,) acetamido , dihydroxy (hydroxymethyl)oxan ]oxy , () ] , dihydroxyoxan ]methoxyhydroxyoxy ,65 ( ) اگزان یل] ، ( ) ] [(1R,) 1,, تری پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C67H111N5O49
اینچی
- InChI=1S/C67H111N5O49/c1-16(81)68-31-21(86)6-67(66(103)104,120-53(31)36(88)22(87)7-73)121-55-40(92)26(11-77)108-63(49(55)101)116-52-29(14-80)112-61(35(45(52)97)72-20(5)85)118-56-46(98)38(90)24(9-75)109-64(56)105-15-30-41(93)54(117-65-57(47(99)39(91)25(10-76)110-65)119-59-33(70-18(3)83)42(94)37(89)23(8-74)107-59)48(100)62(113-30)115-51-28(13-79)111-60(34(44(51)96)71-19(4)84)114-50-27(12-78)106-58(102)32(43(50)95)69-17(2)82/h21-65,73-80,86-102H,6-15H2,1-5H3,(H,68,81)(H,69,82)(H,70,83)(H,71,84)(H,72,85)(H,103,104)/t21-,22+,23+,24+,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+,67-/m0/s1
اینچیکی
- HZCMOADUOWQIRU-QPVWVAJGSA-N
جرم
- 1770.611
جرم تکایزوتوپی
- 1769.63476
اسمایلٓ
- O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[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]5NC(=O)C)CO)CO)[C@@H]3O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O[C@]9(O[C@H]([C@H](NC(=O)C)[C@@H](O)C9)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]8O)CO)[C@H](O)[C@H]7NC(=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->6)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)]-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(a1-6)[GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc
- WURCS=2.0/5,9,8/[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]/1-1-2-3-1-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f2-g1_g4-h1_h3-i2
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154082
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