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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C54H91N3O38

inchi

  • InChI=1S/C54H91N3O38/c1-12-26(65)33(72)38(77)50(82-12)93-44-25(57-17(6)64)48(88-21(10-61)42(44)91-54-46(37(76)30(69)19(8-59)87-54)95-52-40(79)35(74)28(67)14(3)84-52)81-11-22-31(70)43(24(47(80)85-22)56-16(5)63)92-49-23(55-15(4)62)32(71)41(20(9-60)89-49)90-53-45(36(75)29(68)18(7-58)86-53)94-51-39(78)34(73)27(66)13(2)83-51/h12-14,18-54,58-61,65-80H,7-11H2,1-6H3,(H,55,62)(H,56,63)(H,57,64)/t12-,13-,14-,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-/m0/s1

inchikey

  • PMZUXBNUBBQLRA-SGMIOMGSSA-N

mass

  • 1390.305

monoisotopicmass

  • 1389.52806

smiles

  • O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO)[C@H](O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@@H](NC(=O)C)[C@@H]1OC[C@H]5O[C@H](O)[C@H](NC(=O)C)[C@@H](O[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]5O)CO

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
  • Fuc(a1-2)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)]a-GalNAc
  • WURCS=2.0/4,8,7/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-2-4-3-4/a3-b1_a6-e1_b4-c1_c2-d1_e3-f1_e4-g1_g2-h1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150197

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