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

Preferred term

n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-5-[(2s,3s,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2r,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]oxyoxan-2-yl]oxy-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(55)27(61)32(66)43(71-10)79-36-20(47-12(3)53)39(68)72-17(7-51)35(36)78-40-19(46-11(2)52)26(60)34(16(6-50)75-40)77-45-38(81-42-30(64)22(56)13(54)8-69-42)37(25(59)15(5-49)74-45)80-44-33(67)29(63)24(58)18(76-44)9-70-41-31(65)28(62)23(57)14(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

  • FHXTUHWJYHCMDR-KWQUQPGISA-N

mass

  • 1189.083

monoisotopicmass

  • 1188.42795

smiles

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

subset

  • 2_STAR

synonym RELATED

  • alpha-D-manno-hexopyranosyl-(1->6)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-xylo-pentopyranosyl-(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-beta-D-gluco-hexopyranose
  • Man(a1-6)Man(a1-3)[Xyl(b1-2)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)]b-GlcNAc
  • WURCS=2.0/5,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a1122h-1b_1-5][a212h-1b_1-5][a1122h-1a_1-5]/1-2-1-3-4-5-5/a3-b1_a4-c1_c4-d1_d2-e1_d3-f1_f6-g1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146127

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