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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C45H76N2O34

inchi

  • InChI=1S/C45H76N2O34/c1-10-21(54)27(60)34(67)43(71-10)80-37-20(47-12(3)53)39(68)72-16(7-51)36(37)79-40-19(46-11(2)52)26(59)35(15(6-50)75-40)78-45-38(81-44-31(64)23(56)14(5-49)74-44)30(63)25(58)18(77-45)9-70-42-33(66)29(62)24(57)17(76-42)8-69-41-32(65)28(61)22(55)13(4-48)73-41/h10,13-45,48-51,54-68H,4-9H2,1-3H3,(H,46,52)(H,47,53)/t10-,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-,41-,42-,43-,44-,45-/m0/s1

inchikey

  • FYALUNRSPGJWOZ-NQRBDWQRSA-N

mass

  • 1189.083

monoisotopicmass

  • 1188.42795

smiles

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

subset

  • 2_STAR

synonym RELATED

  • alpha-D-manno-hexopyranosyl-(1->6)-alpha-D-manno-hexopyranosyl-(1->6)-[beta-D-xylo-pentofuranosyl-(1->2)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-gluco-hexopyranose
  • Man(a1-6)Man(a1-6)[Xylf(b1-2)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)]GlcNAc
  • WURCS=2.0/6,7,6/[a2122h-1x_1-5_2*NCC/3=O][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a212h-1b_1-4][a1122h-1a_1-5]/1-2-3-4-5-6-6/a3-b1_a4-c1_c4-d1_d2-e1_d6-f1_f6-g1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:152814

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