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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > biomacromolecule > polysaccharide > n-[(2r,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3s,4s,5r,6r)-6-[[(2s,3s,4s,5r,6r)-4-[(2r,3s,4s,5s,6r)-3-[(2r,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2r,3s,4s,5s,6r)-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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 > polyatomic entity > macromolecule > biomacromolecule > polysaccharide > n-[(2r,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3s,4s,5r,6r)-6-[[(2s,3s,4s,5r,6r)-4-[(2r,3s,4s,5s,6r)-3-[(2r,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2r,3s,4s,5s,6r)-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > polysaccharide > n-[(2r,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3s,4s,5r,6r)-6-[[(2s,3s,4s,5r,6r)-4-[(2r,3s,4s,5s,6r)-3-[(2r,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2r,3s,4s,5s,6r)-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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)-6-[[(2s,3s,4s,5r,6r)-4-[(2r,3s,4s,5s,6r)-3-[(2r,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2r,3s,4s,5s,6r)-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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

  • C70H118N2O56

inchi

  • InChI=1S/C70H118N2O56/c1-14(82)71-27-37(93)52(23(10-80)110-60(27)107)121-61-28(72-15(2)83)38(94)53(24(11-81)117-61)122-66-50(106)55(124-69-59(44(100)34(90)21(8-78)115-69)128-70-58(43(99)33(89)22(9-79)116-70)126-64-47(103)40(96)30(86)18(5-75)112-64)36(92)26(119-66)12-108-62-49(105)54(123-68-57(42(98)32(88)20(7-77)114-68)127-65-48(104)45(101)51(120-65)16(84)3-73)35(91)25(118-62)13-109-67-56(41(97)31(87)19(6-76)113-67)125-63-46(102)39(95)29(85)17(4-74)111-63/h16-70,73-81,84-107H,3-13H2,1-2H3,(H,71,82)(H,72,83)/t16-,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-,65-,66+,67+,68-,69-,70-/m1/s1

inchikey

  • OXPOBDDLAQBVBO-SQVRSKANSA-N

mass

  • 1883.672

monoisotopicmass

  • 1882.64472

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](O)[C@@H]4O[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)CO)CO)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[C@H]9O[C@H]([C@H](O)[C@H]9O)[C@H](O)CO)CO)[C@@H]7O)CO[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@@H]%11O)CO)CO

subset

  • 2_STAR

synonym RELATED

  • alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-galacto-hexofuranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-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(a1-2)Man(a1-2)Man(a1-3)[Galf(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc
  • WURCS=2.0/4,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1a_1-4]/1-1-2-3-3-3-3-3-4-3-3/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g3-h1_g6-j1_h2-i1_j2-k1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149165

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