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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C48H81N3O36

inchi

  • InChI=1S/C48H81N3O36/c1-11(57)49-21-28(64)38(16(6-54)77-42(21)74)84-43-22(50-12(2)58)29(65)39(17(7-55)80-43)85-47-37(73)33(69)27(63)20(83-47)10-76-48-41(34(70)25(61)15(5-53)79-48)87-44-23(51-13(3)59)30(66)40(18(8-56)81-44)86-46-36(72)32(68)26(62)19(82-46)9-75-45-35(71)31(67)24(60)14(4-52)78-45/h14-48,52-56,60-74H,4-10H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)/t14-,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-,43+,44+,45-,46+,47+,48+/m1/s1

inchikey

  • JWYVEHIHTCENJN-AFDJYVBWSA-N

mass

  • 1276.161

monoisotopicmass

  • 1275.45998

smiles

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

subset

  • 2_STAR

synonym RELATED

  • beta-D-galacto-hexopyranosyl-(1->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
  • Gal(b1-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)Man(b1-4)GlcNAc(b1-4)b-GlcNAc
  • WURCS=2.0/4,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-1-2-3-1-4-4/a4-b1_b4-c1_c6-d1_d2-e1_e4-f1_f6-g1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146791

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