Concept information
اصطلاح مرجح
n-[(2s,3r,4r,5s,6r)-2-[(2s,3s,4s,5s,6r)-2-[[(2r,3r,4s,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C62H106N4O45
اینچی
- InChI=1S/C62H106N4O45/c1-15-32(80)42(90)46(94)58(97-15)111-54-45(93)37(85)24(10-71)100-61(54)107-50-27(13-74)103-57(31(41(50)89)66-19(5)78)110-53-44(92)36(84)25(11-72)101-62(53)108-51-38(86)28(14-96-60-52(43(91)35(83)23(9-70)99-60)109-55-29(64-17(3)76)39(87)34(82)22(8-69)98-55)104-59(47(51)95)106-49-26(12-73)102-56(30(40(49)88)65-18(4)77)105-48(21(79)7-68)33(81)20(6-67)63-16(2)75/h15,20-62,67-74,79-95H,6-14H2,1-5H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t15-,20-,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+/m0/s1
اینچیکی
- WJLPAFNOBVEFSD-LSLSYVFESA-N
جرم
- 1627.513
جرم تکایزوتوپی
- 1626.61291
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]1O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)CO)[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O[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]8O)C)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO
زیرمجموعه
- 2_STAR
مترادف مرتبط
- WURCS=2.0/6,9,8/[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]/1-2-3-4-2-5-6-4-2/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f2-g1_h2-i1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:155656
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