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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C28H48N2O24S

inchi

  • InChI=1S/C28H48N2O24S/c1-7(34)29-13-17(38)22(52-28-21(42)19(40)23(11(5-33)51-28)54-55(44,45)46)10(4-32)50-26(13)47-6-12-16(37)24(14(25(43)48-12)30-8(2)35)53-27-20(41)18(39)15(36)9(3-31)49-27/h9-28,31-33,36-43H,3-6H2,1-2H3,(H,29,34)(H,30,35)(H,44,45,46)/t9-,10-,11-,12-,13-,14-,15+,16+,17-,18+,19-,20-,21-,22-,23+,24-,25+,26-,27+,28+/m1/s1

inchikey

  • KEBQICKTHOKUEG-IGZRTQAHSA-N

mass

  • 828.740

monoisotopicmass

  • 828.23177

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 4-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
  • Gal4S(b1-4)GlcNAc(b1-6)[Gal(b1-3)]a-GalNAc
  • WURCS=2.0/4,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_4*OSO/3=O/3=O]/1-2-3-4/a3-b1_a6-c1_c4-d1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156864

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