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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > oligosaccharide > n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,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-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > oligosaccharide > n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,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-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > oligosaccharide > n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,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-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide > n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,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-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide > n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,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-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide > n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,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-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Preferred term

n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,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-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C54H93N3O39

inchi

  • InChI=1S/C54H93N3O39/c1-13-27(68)34(75)38(79)50(84-13)93-44-24(11-63)90-49(26(57-17(5)66)45(44)94-54-47(37(78)31(72)21(8-60)88-54)96-51-39(80)35(76)28(69)14(2)85-51)95-46-32(73)22(9-61)87-53(41(46)82)91-42(18(6-58)55-15(3)64)29(70)19(67)12-83-48-25(56-16(4)65)33(74)43(23(10-62)89-48)92-52-40(81)36(77)30(71)20(7-59)86-52/h13-14,18-54,58-63,67-82H,6-12H2,1-5H3,(H,55,64)(H,56,65)(H,57,66)/t13-,14-,18-,19+,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-/m0/s1

inchikey

  • DKUXTTIHWOICFW-MNISUKKBSA-N

mass

  • 1408.320

monoisotopicmass

  • 1407.53862

smiles

  • O([C@H]1[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@H](O[C@@H](O[C@H]3[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)[C@@H](NC(=O)C)CO)[C@@H]3O)CO)[C@@H]1NC(=O)C)CO)[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)CO

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/4,8,7/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-4-3-2/a3-b1_a6-g1_b3-c1_c3-d1_c4-f1_d2-e1_g4-h1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:148986

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