Concept information
اصطلاح مرجح
(2R,4S,5R,6R) 5 استامیدو 2 [[(,3R,,,6S) 6 [(,3S,4R,,) [(2S,,,5S,) [(,,,,) [(,,,,) [(,,,,) [(,,,,) [(,,,) 4, دی هیدروکسی 3 ( متیل) oxan yl]oxy [[(,,,,) [(,,,,) acetamido ( ) [(,,,,) ,, (تری اتیل) [(,,,,) ,, متیلوکسان یل] اکسیکسان ] اکسی , ( ) اکسان ] ] , ] ، ، ( ) اگزان ] ، ( ) ] ( ) ایل] ،، ] متوکسی] ، ، [ پروپیل] کربوکسیلیک اسید
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C93H154N6O68
اینچی
- InChI=1S/C93H154N6O68/c1-21-47(118)59(130)64(135)85(145-21)162-75-46(99-27(7)115)84(154-38(18-109)73(75)161-86-65(136)60(131)49(120)30(10-101)147-86)165-78-62(133)50(121)31(11-102)149-90(78)143-19-39-54(125)77(68(139)89(155-39)160-72-36(16-107)151-81(43(56(72)127)96-24(4)112)157-69-34(14-105)146-80(140)42(55(69)126)95-23(3)111)164-91-79(63(134)51(122)32(12-103)150-91)166-83-45(98-26(6)114)58(129)71(37(17-108)153-83)159-88-67(138)76(53(124)33(13-104)148-88)163-82-44(97-25(5)113)57(128)70(35(15-106)152-82)158-87-66(137)61(132)52(123)40(156-87)20-144-93(92(141)142)8-28(116)41(94-22(2)110)74(167-93)48(119)29(117)9-100/h21,28-91,100-109,116-140H,8-20H2,1-7H3,(H,94,110)(H,95,111)(H,96,112)(H,97,113)(H,98,114)(H,99,115)(H,141,142)/t21-,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-,84-,85-,86-,87-,88-,89-,90-,91+,93+/m0/s1
اینچیکی
- BDEQUNAIFJQYCW-JZYLDCNKSA-N
جرم
- 2444.229
جرم تکایزوتوپی
- 2442.87769
اسمایلٓ
- O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO)O)[C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[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]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@H]5NC(=O)C)CO)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]%10O[C@@H]([C@H](O)[C@H](O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%11NC(=O)C)CO)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO
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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-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(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
- WURCS=2.0/7,13,12/[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]/1-2-3-4-2-5-2-5-6-4-2-7-5/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_e4-f1_f3-g1_g4-h1_h6-i2_j2-k1_k3-l1_k4-m1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154597
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