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

  • RJKRIQCLXCQAGC-FTKGJPAOSA-N

mass

  • 1721.531

monoisotopicmass

  • 1720.59190

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@@H](O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)[C@H](O)[C@@H]5O)CO)[C@H](O)[C@@H]4O)CO)[C@@H]3O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)[C@@H]7O)CO[C@H]9O[C@@H]([C@@H](O[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O)CO)[C@H](O)[C@@H]9O)CO

subset

  • 2_STAR

synonym RELATED

  • alpha-D-manno-hexopyranosyl-(1->4)-alpha-D-manno-hexopyranosyl-(1->4)-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->4)-alpha-D-manno-hexopyranosyl-(1->6)-[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
  • Man(a1-4)Man(a1-4)Man(a1-3)[Man(a1-4)Man(a1-6)[Man(a1-3)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc
  • WURCS=2.0/3,10,9/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-g1_d4-e1_e4-f1_g3-h1_g6-i1_i4-j1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146748

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