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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C22H38N2O19S

inchi

  • InChI=1S/C22H38N2O19S/c1-6(27)23-11-15(31)13(29)10(39-20(11)34)5-38-21-12(24-7(2)28)16(32)18(9(4-26)41-21)42-22-17(33)19(43-44(35,36)37)14(30)8(3-25)40-22/h8-22,25-26,29-34H,3-5H2,1-2H3,(H,23,27)(H,24,28)(H,35,36,37)/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20?,21-,22+/m1/s1

inchikey

  • FKTSAJXJJKOAJW-JGIIURCWSA-N

mass

  • 666.600

monoisotopicmass

  • 666.17895

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • Gal3S(b1-4)GlcNAc(b1-6)GalNAc
  • WURCS=2.0/3,3,2/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2-3/a6-b1_b4-c1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155702

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