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

Preferred term

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

  • C53H89N3O39

inchi

  • InChI=1S/C53H89N3O39/c1-12-26(66)34(74)39(79)50(82-12)92-42-25(56-15(4)65)46(80)83-21(10-62)41(42)91-48-24(55-14(3)64)33(73)40(20(9-61)88-48)90-53-45(95-51-37(77)30(70)19(8-60)86-51)43(31(71)22(89-53)11-81-49-38(78)35(75)28(68)17(6-58)85-49)93-52-44(36(76)29(69)18(7-59)87-52)94-47-23(54-13(2)63)32(72)27(67)16(5-57)84-47/h12,16-53,57-62,66-80H,5-11H2,1-4H3,(H,54,63)(H,55,64)(H,56,65)/t12-,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-,49-,50-,51-,52+,53-/m0/s1

inchikey

  • GBJARTBSAUJQPL-OBRKURFOSA-N

mass

  • 1392.277

monoisotopicmass

  • 1391.50732

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]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)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](O)[C@H]6NC(=O)C)CO)CO)[C@@H]4O[C@@H]7O[C@@H]([C@H](O)[C@H]7O)CO)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO

subset

  • 2_STAR

synonym RELATED

  • 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-xylo-pentofuranosyl-(1->2)][alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
  • GlcNAc(b1-2)Man(a1-3)[Xylf(b1-2)][Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)]b-GlcNAc
  • WURCS=2.0/5,8,7/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a1122h-1b_1-5][a212h-1b_1-4][a1122h-1a_1-5]/1-2-1-3-4-5-1-5/a3-b1_a4-c1_c4-d1_d2-e1_d3-f1_d6-h1_f2-g1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157136

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