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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > neuraminic acids > (2s,4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-[(2r,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxyoxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > ketoaldonic acid derivative > neuraminic acids > (2s,4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-[(2r,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxyoxane-2-carboxylic acid

Preferred term

(2s,4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-[(2r,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C17H29NO17S

inchi

  • InChI=1S/C17H29NO17S/c1-5(20)18-9-6(21)2-17(16(27)28,34-13(9)10(23)7(22)3-19)35-14-11(24)8(4-32-36(29,30)31)33-15(26)12(14)25/h6-15,19,21-26H,2-4H2,1H3,(H,18,20)(H,27,28)(H,29,30,31)/t6-,7+,8+,9+,10+,11-,12+,13+,14-,15+,17-/m0/s1

inchikey

  • HRACMYHXDNTVKL-AQQDFGJOSA-N

mass

  • 551.470

monoisotopicmass

  • 551.11562

smiles

  • S(OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@]2(O[C@H]([C@H](NC(=O)C)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-6-O-sulfo-beta-D-galacto-hexopyranose
  • NeuAc(a2-3)b-Gal6S
  • WURCS=2.0/2,2,1/[a2112h-1b_1-5_6*OSO/3=O/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a3-b2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155132

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