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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 > oligosaccharide > [(2r,3s,4r,5r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > oligosaccharide > [(2r,3s,4r,5r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate
... > 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 > oligosaccharide > [(2r,3s,4r,5r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide > [(2r,3s,4r,5r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide > [(2r,3s,4r,5r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate
... > 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 > glycan > oligosaccharide > [(2r,3s,4r,5r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate

Preferred term

[(2r,3s,4r,5r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C26H45NO27S2

inchi

  • InChI=1S/C26H45NO27S2/c1-6(32)27-11-20(52-25-16(37)21(53-55(40,41)42)13(34)8(3-29)48-25)12(33)7(2-28)47-24(11)51-19-10(5-31)49-26(17(38)22(19)54-56(43,44)45)50-18-9(4-30)46-23(39)15(36)14(18)35/h7-26,28-31,33-39H,2-5H2,1H3,(H,27,32)(H,40,41,42)(H,43,44,45)/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17-,18-,19+,20-,21+,22-,23-,24+,25+,26?/m1/s1

inchikey

  • QQBJQVWNXPDNQN-KIEOIEQOSA-N

mass

  • 867.750

monoisotopicmass

  • 867.16204

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-3-O-sulfo-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
  • Gal3S(b1-3)GalNAc(b1-4)Gal3S(?1-4)b-Glc
  • WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1x_1-5_3*OSO/3=O/3=O][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2-3-4/a4-b1_b4-c1_c3-d1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147772

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