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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C42H71N3O31

inchi

  • InChI=1S/C42H71N3O31/c1-10(52)43-19-32(25(58)16(7-49)66-37(19)65)73-41-35(29(62)23(56)14(5-47)70-41)75-39-21(45-12(3)54)34(27(60)18(9-51)68-39)74-42-36(30(63)24(57)15(6-48)71-42)76-38-20(44-11(2)53)33(26(59)17(8-50)67-38)72-40-31(64)28(61)22(55)13(4-46)69-40/h13-42,46-51,55-65H,4-9H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t13-,14-,15-,16-,17-,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+/m1/s1

inchikey

  • OAJZDYYSQNSTBK-OOOUCTMQSA-N

mass

  • 1114.020

monoisotopicmass

  • 1113.40715

smiles

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

subset

  • 2_STAR

synonym RELATED

  • beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranose
  • Gal(b1-3)GlcNAc(b1-2)Gal(b1-3)GlcNAc(b1-2)Gal(b1-3)GlcNAc
  • WURCS=2.0/3,6,5/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a3-b1_b2-c1_c3-d1_d2-e1_e3-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155806

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