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

Preferred term

(2s,4s,5r,6r)-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[(3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C17H29NO15

inchi

  • InChI=1S/C17H29NO15/c19-2-6(23)10(25)13-9(18-8(24)4-21)5(22)1-17(32-13,16(29)30)33-14-11(26)7(3-20)31-15(28)12(14)27/h5-7,9-15,19-23,25-28H,1-4H2,(H,18,24)(H,29,30)/t5-,6+,7+,9+,10+,11-,12+,13+,14-,15?,17-/m0/s1

inchikey

  • XGGMLCCNKNCBRK-MEVVNLJXSA-N

mass

  • 487.411

monoisotopicmass

  • 487.15372

smiles

  • O1[C@H]([C@H](NC(=O)CO)[C@@H](O)C[C@]1(O[C@H]2[C@@H](O)[C@H](OC(O)[C@@H]2O)CO)C(O)=O)[C@H](O)[C@H](O)CO

subset

  • 2_STAR

synonym RELATED

  • 3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-D-galacto-hexopyranose
  • NeuGc(a2-3)Gal
  • WURCS=2.0/2,2,1/[a2112h-1x_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2/a3-b2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151728

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