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

  • C64H108N2O51

inchi

  • InChI=1S/C64H108N2O51/c1-13(76)65-25-35(86)47(22(10-74)100-55(25)98)110-56-26(66-14(2)77)36(87)48(23(11-75)108-56)111-61-46(97)51(34(85)24(109-61)12-99-57-42(93)37(88)27(78)15(3-67)101-57)114-63-54(41(92)31(82)18(6-70)106-63)117-64-53(40(91)30(81)19(7-71)107-64)116-60-44(95)49(32(83)20(8-72)104-60)112-59-45(96)50(33(84)21(9-73)103-59)113-62-52(39(90)29(80)17(5-69)105-62)115-58-43(94)38(89)28(79)16(4-68)102-58/h15-64,67-75,78-98H,3-12H2,1-2H3,(H,65,76)(H,66,77)/t15-,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+,54+,55-,56+,57+,58?,59?,60-,61+,62?,63-,64-/m1/s1

inchikey

  • AECVBPKATGHPIN-AWFXFSRNSA-N

mass

  • 1721.531

monoisotopicmass

  • 1720.59190

smiles

  • O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O)O[C@@H]([C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[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]6O[C@H]7O[C@@H]([C@@H](O)[C@H](OC8O[C@@H]([C@@H](O)[C@H](OC9O[C@@H]([C@@H](O)[C@H](O)[C@H]9OC%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)CO)[C@H]8O)CO)[C@@H]7O)CO)CO)CO

subset

  • 2_STAR

synonym RELATED

  • D-gluco-hexopyranosyl-(1->2)-D-gluco-hexopyranosyl-(1->3)-D-gluco-hexopyranosyl-(1->3)-alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[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
  • Glc(?1-2)Glc(?1-3)Glc(?1-3)Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc
  • WURCS=2.0/4,10,9/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1x_1-5]/1-1-2-3-3-3-4-4-4-3/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_e2-f1_f3-g1_g3-h1_h2-i1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:148767

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