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

Preferred term

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

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C40H68N2O30

inchi

  • InChI=1S/C40H68N2O30/c1-9-19(47)25(53)29(57)37(65-9)64-8-16-34(23(51)17(35(61)66-16)41-10(2)45)71-36-18(42-11(3)46)24(52)33(13(5-44)68-36)72-40-32(60)28(56)22(50)15(70-40)7-63-39-31(59)27(55)21(49)14(69-39)6-62-38-30(58)26(54)20(48)12(4-43)67-38/h9,12-40,43-44,47-61H,4-8H2,1-3H3,(H,41,45)(H,42,46)/t9-,12+,13+,14+,15+,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-/m0/s1

inchikey

  • NESSELRYLZYPHX-KQGOLZLISA-N

mass

  • 1056.968

monoisotopicmass

  • 1056.38569

smiles

  • O([C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO[C@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)O

subset

  • 2_STAR

synonym RELATED

  • 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)-[6-deoxy-beta-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
  • Man(a1-6)Man(a1-6)Man(b1-4)GlcNAc(b1-4)[Fuc(b1-6)]b-GlcNAc
  • WURCS=2.0/4,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1b_1-5]/1-1-2-3-3-4/a4-b1_a6-f1_b4-c1_c6-d1_d6-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150587

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