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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > [(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3s,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > [(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3s,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > [(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3s,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > carbohydrate sulfate > oligosaccharide sulfate > [(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3s,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
... > organooxygen compound > ester > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > [(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3s,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > [(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3s,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > [(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3s,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate sulfate > oligosaccharide sulfate > [(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3s,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > oligosaccharide derivative > oligosaccharide sulfate > [(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3s,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

Preferred term

[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3s,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-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(28)23-11-14(31)17(9(4-26)39-22(11)42-19-16(33)13(30)8(3-25)38-20(19)34)41-21-12(24-7(2)29)15(32)18(10(5-27)40-21)43-44(35,36)37/h8-22,25-27,30-34H,3-5H2,1-2H3,(H,23,28)(H,24,29)(H,35,36,37)/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20?,21+,22+/m1/s1

inchikey

  • ZECUIZJBHZXZGM-SDPFPJKFSA-N

mass

  • 666.600

monoisotopicmass

  • 666.17895

smiles

  • S(O[C@@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@@H](O)[C@H](O)[C@H](OC3O)CO)O[C@@H]1CO)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-D-manno-hexopyranose
  • GalNAc4S(b1-4)GlcNAc(b1-2)Man
  • WURCS=2.0/3,3,2/[a1122h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O]/1-2-3/a2-b1_b4-c1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149414

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