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 ( ) [SYL]، 2S5، [(,,,,) acetamido hydroxy (hydroxymethyl) [(,,,,) ,, تری ( )oxan ]oxyoxan ]oxy , ، یل] ، ( ) ] ( ) [(,,,,) ,, متیلوکسان ] ،65 ] [(1R,) 1,, پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C79H131N5O58
اینچی
- InChI=1S/C79H131N5O58/c1-18-40(101)48(109)52(113)73(123-18)139-65-39(84-23(6)98)71(129-33(16-93)63(65)138-77-57(118)67(43(104)27(10-87)126-77)142-79(78(120)121)7-24(99)35(80-19(2)94)64(141-79)41(102)25(100)8-85)135-62-32(15-92)131-75(55(116)51(62)112)140-66-44(105)34(132-76(56(66)117)137-60-30(13-90)127-69(37(47(60)108)82-21(4)96)133-58-28(11-88)124-68(119)36(45(58)106)81-20(3)95)17-122-72-54(115)50(111)61(31(14-91)130-72)134-70-38(83-22(5)97)46(107)59(29(12-89)128-70)136-74-53(114)49(110)42(103)26(9-86)125-74/h18,24-77,85-93,99-119H,7-17H2,1-6H3,(H,80,94)(H,81,95)(H,82,96)(H,83,97)(H,84,98)(H,120,121)/t18-,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+,66-,67-,68+,69-,70-,71-,72-,73-,74-,75+,76-,77-,79-/m0/s1
اینچیکی
- MRYWGTMUHZJYNL-DPDDIEFRSA-N
جرم
- 2078.894
جرم تکایزوتوپی
- 2077.74550
اسمایلٓ
- O1[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O[C@@H]2CO)O[C@@H]3[C@H](O)[C@@H](O[C@@H]([C@H]3O)CO[C@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5NC(=O)C)CO)[C@H](O)[C@@H]4O)CO)O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]8CO)O)[C@H](NC(=O)C)[C@@H](O[C@@H]9O[C@H]([C@@H](O)[C@@H](O)[C@@H]9O)C)[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]1CO
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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-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)[Fuc(a1-3)]GlcNAc(b1-4)Man(a1-3)[Gal(b1-4)GlcNAc(b1-4)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc
- WURCS=2.0/6,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-1-2-3-1-4-5-6-3-1-5/a4-b1_b4-c1_c3-d1_c6-i1_d4-e1_e3-f1_e4-g1_g3-h2_i4-j1_j4-k1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154944
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