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

Preferred term

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

  • C76H127N5O54

inchi

  • InChI=1S/C76H127N5O54/c1-17-38(94)49(105)54(110)71(117-17)134-64-51(107)41(97)25(9-83)121-75(64)130-59-27(11-85)123-67(34(46(59)102)78-20(4)90)115-15-31-43(99)62(37(66(114)119-31)81-23(7)93)132-74-57(113)63(133-70-36(80-22(6)92)48(104)58(29(13-87)125-70)129-73-56(112)53(109)61(30(14-88)126-73)128-69-33(77-19(3)89)45(101)40(96)24(8-82)120-69)44(100)32(127-74)16-116-68-35(79-21(5)91)47(103)60(28(12-86)124-68)131-76-65(52(108)42(98)26(10-84)122-76)135-72-55(111)50(106)39(95)18(2)118-72/h17-18,24-76,82-88,94-114H,8-16H2,1-7H3,(H,77,89)(H,78,90)(H,79,91)(H,80,92)(H,81,93)/t17-,18-,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-,71-,72-,73-,74-,75-,76-/m0/s1

inchikey

  • BWWOIAQXRIOKDI-MEFYMNKPSA-N

mass

  • 1974.833

monoisotopicmass

  • 1973.73454

smiles

  • O([C@H]1[C@@H](O)[C@H](O[C@@H](O[C@H]2[C@@H](O)[C@H](OC(O)[C@@H]2NC(=O)C)CO[C@@H]3O[C@@H]([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)CO)[C@H](O)[C@H]3NC(=O)C)CO)[C@@H]1O)CO[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)CO)[C@H](O)[C@H]6NC(=O)C)CO)[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11NC(=O)C)CO)[C@H](O)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • 2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc
  • WURCS=2.0/5,11,10/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-3-2-5-3-2-5/a3-b1_a6-i1_b3-c1_b6-f1_c4-d1_d4-e1_f4-g1_g2-h1_i4-j1_j2-k1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:148528

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