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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 > amino monosaccharide > hexosamine > n-acyl-hexosamine > [(2r,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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 > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > amino monosaccharide > hexosamine > n-acyl-hexosamine > [(2r,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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 > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > amino monosaccharide > hexosamine > n-acyl-hexosamine > [(2r,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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

  • C36H63N3O29S

inchi

  • InChI=1S/C36H63N3O29S/c1-10(44)37-13(4-40)30(66-34-20(39-12(3)46)32(24(51)16(6-42)62-34)68-35-28(55)26(53)22(49)15(5-41)63-35)21(48)14(47)8-60-33-19(38-11(2)45)25(52)31(17(7-43)64-33)67-36-29(56)27(54)23(50)18(65-36)9-61-69(57,58)59/h13-36,40-43,47-56H,4-9H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,57,58,59)/t13-,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24+,25+,26-,27-,28+,29+,30+,31+,32+,33+,34-,35-,36-/m0/s1

inchikey

  • DMVWCZZAXPLEGV-MZBLSOPZSA-N

mass

  • 1033.950

monoisotopicmass

  • 1033.32679

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

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1b_1-5_6*OSO/3=O/3=O]/1-2-3-2-4/a3-b1_a6-d1_b3-c1_d4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:148794

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