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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C50H84N4O35

inchi

  • InChI=1S/C50H84N4O35/c1-12-27(64)35(72)37(74)48(78-12)77-11-22-41(32(69)23(44(76)79-22)51-13(2)60)86-46-25(53-15(4)62)34(71)40(21(10-59)83-46)87-49-38(75)42(30(67)19(8-57)81-49)88-50-43(36(73)29(66)18(7-56)82-50)89-47-26(54-16(5)63)33(70)39(20(9-58)84-47)85-45-24(52-14(3)61)31(68)28(65)17(6-55)80-45/h12,17-50,55-59,64-76H,6-11H2,1-5H3,(H,51,60)(H,52,61)(H,53,62)(H,54,63)/t12-,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-,43-,44?,45-,46-,47-,48+,49-,50+/m0/s1

inchikey

  • PSBJFYKAYBFJOL-RMUCQQHESA-N

mass

  • 1301.215

monoisotopicmass

  • 1300.49161

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose
  • GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
  • WURCS=2.0/6,7,6/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6/a4-b1_a6-g1_b4-c1_c3-d1_d2-e1_e4-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146073

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