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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,3s,4r,5r,6r)-5-acetamido-6-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3-[(2s,3r,4r,5r,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4-hydroxyoxan-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,3s,4r,5r,6r)-5-acetamido-6-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3-[(2s,3r,4r,5r,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4-hydroxyoxan-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,3s,4r,5r,6r)-5-acetamido-6-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3-[(2s,3r,4r,5r,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]methyl hydrogen sulfate

Preferred term

[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3-[(2s,3r,4r,5r,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]methyl hydrogen sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C22H40N2O22S2

inchi

  • InChI=1S/C22H40N2O22S2/c1-7(28)23-9(3-25)18(14(31)10(30)4-26)44-21-13(24-8(2)29)15(32)19(12(43-21)6-41-47(35,36)37)45-22-17(34)16(33)20(11(5-27)42-22)46-48(38,39)40/h9-22,25-27,30-34H,3-6H2,1-2H3,(H,23,28)(H,24,29)(H,35,36,37)(H,38,39,40)/t9-,10+,11+,12+,13+,14-,15+,16+,17+,18+,19+,20-,21-,22-/m0/s1

inchikey

  • IQGGNICKXCHKBS-AZCJYTNDSA-N

mass

  • 748.670

monoisotopicmass

  • 748.15141

smiles

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

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5_4*OSO/3=O/3=O]/1-2-3/a3-b1_b4-c1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150128

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