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

Preferred term

n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r)-5-acetamido-2-[[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-4-[(2s,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]oxy-5-hydroxy-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-2-yl]oxymethyl]-3,6-dihydroxyoxan-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

  • C62H104N4O43

inchi

  • InChI=1S/C62H104N4O43/c1-14-31(76)40(85)44(89)58(94-14)106-50-30(66-20(7)75)57(102-25(12-71)48(50)104-61-52(43(88)35(80)22(9-68)99-61)108-59-45(90)41(86)32(77)15(2)95-59)107-51-36(81)23(10-69)100-62(53(51)109-60-46(91)42(87)33(78)16(3)96-60)103-47-24(11-70)101-55(28(39(47)84)64-18(5)73)93-13-26-37(82)49(29(54(92)97-26)65-19(6)74)105-56-27(63-17(4)72)38(83)34(79)21(8-67)98-56/h14-16,21-62,67-71,76-92H,8-13H2,1-7H3,(H,63,72)(H,64,73)(H,65,74)(H,66,75)/t14-,15-,16-,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?,55+,56-,57-,58-,59-,60-,61-,62-/m0/s1

inchikey

  • ITXSGROQIZFAHK-IUPVRFHQSA-N

mass

  • 1593.499

monoisotopicmass

  • 1592.60743

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](O[C@@H]([C@@H]1O)CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)OC[C@H]4OC(O)[C@H](NC(=O)C)[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO)[C@H]4O)[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]9O[C@H]([C@@H](O)[C@@H](O)[C@@H]9O)C)[C@H]6NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • 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->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)[Fuc(a1-2)]Gal(b1-4)GlcNAc(b1-6)[GlcNAc(b1-3)]GalNAc
  • WURCS=2.0/4,9,8/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-2-3-4-2-4-3-4/a3-b1_a6-c1_c4-d1_d2-e1_d3-f1_f3-g1_f4-h1_h2-i1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146670

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