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 [(,,,,) , (hydroxymethyl) ] [[(,,,,) , دی ,,,,,,,, ( ) اکسان یل] [[(,,,,) ,, ( ) ]oxymethyl] ]] hydroxyoxan ]hydroxyymethyl , ] ( ) ] ، ( ) ] [(1R,) 1,, پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C85H141N5O63
اینچی
- InChI=1S/C85H141N5O63/c1-19-42(106)54(118)58(122)77(134-19)132-17-35-66(51(115)38(73(128)135-35)87-21(3)100)145-75-40(89-23(5)102)52(116)65(32(14-97)141-75)147-82-63(127)71(67(148-74-39(88-22(4)101)50(114)44(108)27(9-92)136-74)36(144-82)18-133-79-61(125)69(149-80-60(124)56(120)46(110)29(11-94)138-80)49(113)34(143-79)16-131-78-59(123)55(119)45(109)28(10-93)137-78)150-83-72(57(121)47(111)30(12-95)140-83)151-76-41(90-24(6)103)53(117)64(33(15-98)142-76)146-81-62(126)70(48(112)31(13-96)139-81)153-85(84(129)130)7-25(104)37(86-20(2)99)68(152-85)43(107)26(105)8-91/h19,25-83,91-98,104-128H,7-18H2,1-6H3,(H,86,99)(H,87,100)(H,88,101)(H,89,102)(H,90,103)(H,129,130)/t19-,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+,78-,79-,80+,81-,82-,83+,85-/m0/s1
اینچیکی
- QZABJMMYDITMCF-FJGDJBLGSA-N
جرم
- 2241.035
جرم تکایزوتوپی
- 2239.79832
اسمایلٓ
- O([C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)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](O)[C@@H](NC(=O)C)C(O[C@@H]4CO[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)O)[C@H]1O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO)[C@@H]6O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O[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)[C@H]%11O)CO)[C@H](O)[C@H]%10NC(=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)-[alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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)[Man(a1-3)[Man(a1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
- WURCS=2.0/7,12,11/[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]/1-2-3-4-2-5-6-2-4-4-4-7/a4-b1_a6-l1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_e4-f1_f3-g2_i3-j1_i6-k1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148962
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