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Chemistry, part 1

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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,3s,4r,5s)-5-acetamido-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] 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,3s,4r,5s)-5-acetamido-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] 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,3s,4r,5s)-5-acetamido-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] 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,3s,4r,5s)-5-acetamido-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate
... > organooxygen compound > ester > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > [(2r,3s,4r,5s)-5-acetamido-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] 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,3s,4r,5s)-5-acetamido-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] 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,3s,4r,5s)-5-acetamido-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate sulfate > oligosaccharide sulfate > [(2r,3s,4r,5s)-5-acetamido-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > oligosaccharide derivative > oligosaccharide sulfate > [(2r,3s,4r,5s)-5-acetamido-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C28H50N2O27S2

inchi

  • InChI=1S/C28H50N2O27S2/c1-8(34)29-10(3-31)16(37)23(11(36)6-50-58(44,45)46)55-28-22(43)25(18(39)13(5-33)53-28)57-26-15(30-9(2)35)19(40)24(14(54-26)7-51-59(47,48)49)56-27-21(42)20(41)17(38)12(4-32)52-27/h10-28,31-33,36-43H,3-7H2,1-2H3,(H,29,34)(H,30,35)(H,44,45,46)(H,47,48,49)/t10-,11+,12+,13+,14+,15+,16+,17-,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,28-/m0/s1

inchikey

  • JDBBQRYYLWTOAY-ITKYWCSTSA-N

mass

  • 910.820

monoisotopicmass

  • 910.20424

smiles

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

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/3,4,3/[h2122h_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-2/a4-b1_b3-c1_c4-d1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:154213

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