Concept information
اصطلاح مرجح
(2R,4S,5R,6R) 5 استامیدو 2 [[(,3S,4R,,6S) 6 [(,,,5S,) [(,3R,,,) [[(2S,,,) [(,,,,) 3 acetamido 4 [(,,,,) [(,,,) کربوکسی هیدروکسی [(1R,) 1,, تری , دی پروپیل ( متیل) اکسان یل] اکسی ( ) ] ، ( ) ایل] ] [(,,,,) [,(,,,) ( ) اگزان ] ( ) ] ، ] ، ( ) ] [(,,,) [(,,,) [(,) ,, ] yl] , ( ) ] [(,) ,, ] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C95H155N7O70
اینچی
- InChI=1S/C95H155N7O70/c1-23(113)96-45-30(120)8-93(90(144)145,170-75(45)52(126)33(123)11-103)151-22-44-58(132)74(164-86-67(141)65(139)72(42(20-112)158-86)169-95(92(148)149)10-32(122)47(98-25(3)115)77(172-95)54(128)35(125)13-105)51(102-29(7)119)84(159-44)167-80-63(137)56(130)37(15-107)155-89(80)165-78-59(133)43(160-87(68(78)142)162-70-40(18-110)156-82(49(61(70)135)100-27(5)117)161-69-39(17-109)152-81(143)48(60(69)134)99-26(4)116)21-150-88-79(62(136)55(129)36(14-106)154-88)166-83-50(101-28(6)118)73(57(131)38(16-108)153-83)163-85-66(140)64(138)71(41(19-111)157-85)168-94(91(146)147)9-31(121)46(97-24(2)114)76(171-94)53(127)34(124)12-104/h30-89,103-112,120-143H,8-22H2,1-7H3,(H,96,113)(H,97,114)(H,98,115)(H,99,116)(H,100,117)(H,101,118)(H,102,119)(H,144,145)(H,146,147)(H,148,149)/t30-,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+,93+,94+,95+/m0/s1
اینچیکی
- KMAPJBWOJBFJQJ-ZRPFXXPXSA-N
جرم
- 2515.264
جرم تکایزوتوپی
- 2513.87842
اسمایلٓ
- O([C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2O)CO)[C@H]1NC(=O)C)CO[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]5[C@@H](O[C@H]6[C@H](O)[C@H](O[C@@H](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(O[C@@H]8CO)O)[C@H]6O)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](O[C@@H]%11O[C@@H]([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](O)[C@H]%11O)CO)[C@H]%10NC(=O)C)CO)CO)O[C@@H]([C@@H](O)[C@@H]5O)CO
زیرمجموعه
- 2_STAR
مترادف مرتبط
- 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->4)-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->4)-beta-D-galacto-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-D-gluco-hexopyranose
- NeuAc(a2-4)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-4)Gal(b1-3)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
- WURCS=2.0/6,12,11/[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]/1-2-3-4-2-5-6-6-4-2-5-6/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e3-f1_e6-h2_f4-g2_i2-j1_j3-k1_k4-l2
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150533
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