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Chemistry, part 3

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... > 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-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(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-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-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-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(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-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-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-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(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-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-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-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(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-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-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-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(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-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-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-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(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-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-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-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(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-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-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

  • C68H116N4O50

inchi

  • InChI=1S/C68H116N4O50/c1-16-34(86)43(95)47(99)63(107-16)105-14-22(85)53(35(87)21(6-73)69-17(2)81)116-60-31(70-18(3)82)40(92)56(28(12-79)111-60)120-67-52(104)58(39(91)30(115-67)15-106-64-48(100)44(96)36(88)23(7-74)108-64)121-68-59(122-62-33(72-20(5)84)42(94)55(27(11-78)113-62)119-66-50(102)46(98)38(90)25(9-76)110-66)51(103)57(29(13-80)114-68)117-61-32(71-19(4)83)41(93)54(26(10-77)112-61)118-65-49(101)45(97)37(89)24(8-75)109-65/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

inchikey

  • HETIVBWRZOJOOC-XZCBFLDHSA-N

mass

  • 1789.654

monoisotopicmass

  • 1788.66573

smiles

  • O1[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]([C@H]2O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO)O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)[C@@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)[C@H]1CO

subset

  • 2_STAR

synonym RELATED

  • 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]/1-2-3-4-2-5-2-5-4-6/a4-b1_a6-j1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146967

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