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

Preferred term

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

  • C48H81N3O35

inchi

  • InChI=1S/C48H81N3O35/c1-11-24(60)32(68)35(71)46(75-11)86-41-40(85-43-21(49-12(2)57)31(67)25(61)15(5-52)77-43)29(65)19(9-56)81-48(41)83-38-23(51-14(4)59)44(78-17(7-54)27(38)63)84-39-28(64)18(8-55)80-47(36(39)72)82-37-22(50-13(3)58)42(73)76-20(30(37)66)10-74-45-34(70)33(69)26(62)16(6-53)79-45/h11,15-48,52-56,60-73H,5-10H2,1-4H3,(H,49,57)(H,50,58)(H,51,59)/t11-,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-,41+,42?,43+,44-,45+,46-,47-,48-/m0/s1

inchikey

  • HHMYTHXAHUBDCD-XZOOFVPFSA-N

mass

  • 1260.162

monoisotopicmass

  • 1259.46506

smiles

  • O([C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@@H]3[C@@H](NC(=O)C)C(O[C@@H]([C@@H]3O)CO[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)O)O[C@@H]([C@H]1O)CO)[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6NC(=O)C)CO)[C@H]5O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)CO

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GlcNAc(b1-3)Gal(b1-3)[Gal(b1-6)]GalNAc
  • WURCS=2.0/5,7,6/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-2-4-5-2/a3-b1_a6-g1_b3-c1_c3-d1_d2-e1_d3-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155280

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