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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C30H51N3O21

inchi

  • InChI=1S/C30H51N3O21/c1-8(37)31-15-22(44)18(40)11(4-34)50-28(15)48-7-14-21(43)26(54-29-16(32-9(2)38)23(45)19(41)12(5-35)51-29)24(46)30(52-14)53-25-17(33-10(3)39)27(47)49-13(6-36)20(25)42/h11-30,34-36,40-47H,4-7H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-,25-,26+,27+,28-,29+,30+/m1/s1

inchikey

  • PKYXEJPEKJCFQE-KWYZGYGBSA-N

mass

  • 789.738

monoisotopicmass

  • 789.30151

smiles

  • O1[C@@H]([C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](O)[C@@H]1O[C@@H]3[C@@H](NC(=O)C)[C@H](O[C@@H]([C@@H]3O)CO)O)CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
  • GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-3)a-GalNAc
  • WURCS=2.0/3,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3/a3-b1_b3-c1_b6-d1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150988

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