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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C42H73N3O37S2

inchi

  • InChI=1S/C42H73N3O37S2/c1-11(50)43-14(4-46)34(23(54)15(53)8-71-38-21(44-12(2)51)27(58)35(17(6-48)75-38)80-40-31(62)29(60)24(55)19(77-40)9-72-83(65,66)67)79-42-33(64)37(26(57)16(5-47)74-42)82-39-22(45-13(3)52)28(59)36(18(7-49)76-39)81-41-32(63)30(61)25(56)20(78-41)10-73-84(68,69)70/h14-42,46-49,53-64H,4-10H2,1-3H3,(H,43,50)(H,44,51)(H,45,52)(H,65,66,67)(H,68,69,70)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,35+,36+,37-,38+,39-,40-,41-,42-/m0/s1

inchikey

  • MALINKYUQQXLBR-WRYGGDNPSA-N

mass

  • 1276.150

monoisotopicmass

  • 1275.33643

smiles

  • S(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)COS(O)(=O)=O)[C@H](O)[C@H]4NC(=O)C)CO)[C@@H](NC(=O)C)CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/4,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O]/1-2-3-4-3-4/a3-b1_a6-e1_b3-c1_c4-d1_e4-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155177

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