Concept information
اصطلاح مرجح
n-[(2s,3r,4r,5s,6r)-5-[(2s,3s,4s,5r,6r)-4-[(2s,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2s,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2-[(2r,3s,4r,5s)-5-acetamido-2,4,6-trihydroxy-1-[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C68H116N4O50
اینچی
- InChI=1S/C68H116N4O50/c1-16-34(86)44(96)49(101)63(107-16)105-14-22(85)53(35(87)21(6-73)69-17(2)81)116-60-31(70-18(3)82)43(95)54(29(13-80)114-60)117-66-52(104)57(120-68-59(48(100)39(91)26(10-77)113-68)122-62-33(72-20(5)84)56(41(93)28(12-79)109-62)119-65-51(103)46(98)37(89)24(8-75)111-65)42(94)30(115-66)15-106-67-58(47(99)38(90)25(9-76)112-67)121-61-32(71-19(4)83)55(40(92)27(11-78)108-61)118-64-50(102)45(97)36(88)23(7-74)110-64/h16,21-68,73-80,85-104H,6-15H2,1-5H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)/t16-,21-,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-,66-,67-,68+/m0/s1
اینچیکی
- PFZAJKCIUIEDBN-FWIHADNXSA-N
جرم
- 1789.654
جرم تکایزوتوپی
- 1788.66573
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]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[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](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H]5NC(=O)C)CO)CO)[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)[C@H]8NC(=O)C)CO)CO
زیرمجموعه
- 2_STAR
مترادف مرتبط
- WURCS=2.0/6,10,9/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-4-2-5-6/a4-b1_a6-j1_b4-c1_c3-d1_c6-g1_d2-e1_e3-f1_g2-h1_h3-i1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:149156
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