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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 derivative > amino sugar > n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-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 derivative > amino sugar > n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-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 derivative > amino sugar > n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6r)-6-[(3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C36H61N3O26

inchi

  • InChI=1S/C36H61N3O26/c1-9(45)37-17-23(51)20(48)12(4-40)58-33(17)62-28-15(7-43)60-34(18(24(28)52)38-10(2)46)65-31-22(50)14(6-42)59-36(27(31)55)63-29-16(8-44)61-35(26(54)25(29)53)64-30-19(39-11(3)47)32(56)57-13(5-41)21(30)49/h12-36,40-44,48-56H,4-8H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28+,29+,30-,31+,32?,33+,34+,35+,36+/m1/s1

inchikey

  • QFUJDOOWJAFZJG-PVFFYBSSSA-N

mass

  • 951.879

monoisotopicmass

  • 951.35433

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • GalNAc(b1-4)GalNAc(b1-3)Gal(b1-4)Gal(b1-3)GalNAc
  • WURCS=2.0/3,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-2-3-3/a3-b1_b4-c1_c3-d1_d4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155258

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