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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 > o-acyl carbohydrate > [(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 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 > o-acyl carbohydrate > [(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 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 > o-acyl carbohydrate > [(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C14H27NO14S

inchi

  • InChI=1S/C14H27NO14S/c1-5(19)15-6(2-16)12(9(21)7(20)3-17)28-14-11(23)13(29-30(24,25)26)10(22)8(4-18)27-14/h6-14,16-18,20-23H,2-4H2,1H3,(H,15,19)(H,24,25,26)/t6-,7+,8+,9-,10-,11+,12+,13-,14-/m0/s1

inchikey

  • ZTJPEHZVSYTFHT-RMNGOQLYSA-N

mass

  • 465.420

monoisotopicmass

  • 465.11523

smiles

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

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/2,2,1/[h2112h_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2/a3-b1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:154341

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